USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 37:sc= 0.315 USER MOD Single : A 15 ASN : amide:sc=-0.00289 K(o=-0.0029,f=-0.92) USER MOD Single : A 16 LYS NZ :NH3+ 142:sc= 1.1 (180deg=0.198!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 72:sc= 1.08 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 28 TYR OH : rot -176:sc= 0.61 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 36 HIS : no HE2:sc= 0.483 K(o=0.48,f=-1.8!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 165:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.0823 X(o=0.082,f=-0.02) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.019) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.455 X(o=0.45,f=0) USER MOD Single : B 201 ASN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : B 203 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : B 204 MET CE :methyl -175:sc= -0.0814 (180deg=-0.122) USER MOD Single : B 211 TYR OH : rot 180:sc= 0.821 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 34.883 44.249 40.141 1.00 0.00 N ATOM 53 CA VAL A 5 35.686 43.229 40.740 1.00 0.00 C ATOM 54 C VAL A 5 35.527 41.983 39.938 1.00 0.00 C ATOM 55 O VAL A 5 36.477 41.290 39.579 1.00 0.00 O ATOM 56 CB VAL A 5 35.221 42.996 42.148 1.00 0.00 C ATOM 57 CG1 VAL A 5 35.974 41.822 42.796 1.00 0.00 C ATOM 58 CG2 VAL A 5 35.447 44.294 42.942 1.00 0.00 C ATOM 0 HA VAL A 5 36.734 43.527 40.760 1.00 0.00 H new ATOM 0 HB VAL A 5 34.163 42.733 42.149 1.00 0.00 H new ATOM 0 HG11 VAL A 5 35.615 41.678 43.815 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.799 40.914 42.218 1.00 0.00 H new ATOM 0 HG13 VAL A 5 37.042 42.041 42.815 1.00 0.00 H new ATOM 0 HG21 VAL A 5 35.117 44.153 43.971 1.00 0.00 H new ATOM 0 HG22 VAL A 5 36.507 44.547 42.932 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.877 45.103 42.486 1.00 0.00 H new ATOM 68 N GLU A 6 34.270 41.692 39.558 1.00 0.00 N ATOM 69 CA GLU A 6 33.920 40.554 38.765 1.00 0.00 C ATOM 70 C GLU A 6 34.386 40.615 37.351 1.00 0.00 C ATOM 71 O GLU A 6 34.559 39.574 36.721 1.00 0.00 O ATOM 72 CB GLU A 6 32.405 40.300 38.857 1.00 0.00 C ATOM 73 CG GLU A 6 32.066 39.643 40.196 1.00 0.00 C ATOM 74 CD GLU A 6 30.705 40.074 40.728 1.00 0.00 C ATOM 75 OE1 GLU A 6 30.636 41.216 41.255 1.00 0.00 O ATOM 76 OE2 GLU A 6 29.715 39.299 40.658 1.00 0.00 O ATOM 0 H GLU A 6 33.469 42.270 39.812 1.00 0.00 H new ATOM 0 HA GLU A 6 34.459 39.706 39.188 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.863 41.241 38.756 1.00 0.00 H new ATOM 0 HB3 GLU A 6 32.085 39.658 38.036 1.00 0.00 H new ATOM 0 HG2 GLU A 6 32.081 38.559 40.080 1.00 0.00 H new ATOM 0 HG3 GLU A 6 32.835 39.896 40.926 1.00 0.00 H new ATOM 83 N PHE A 7 34.709 41.814 36.834 1.00 0.00 N ATOM 84 CA PHE A 7 35.427 41.888 35.599 1.00 0.00 C ATOM 85 C PHE A 7 36.788 41.295 35.726 1.00 0.00 C ATOM 86 O PHE A 7 37.198 40.487 34.894 1.00 0.00 O ATOM 87 CB PHE A 7 35.492 43.327 35.059 1.00 0.00 C ATOM 88 CG PHE A 7 35.996 43.379 33.658 1.00 0.00 C ATOM 89 CD1 PHE A 7 35.245 42.855 32.633 1.00 0.00 C ATOM 90 CD2 PHE A 7 37.225 43.927 33.375 1.00 0.00 C ATOM 91 CE1 PHE A 7 35.717 42.868 31.340 1.00 0.00 C ATOM 92 CE2 PHE A 7 37.702 43.947 32.086 1.00 0.00 C ATOM 93 CZ PHE A 7 36.948 43.414 31.067 1.00 0.00 C ATOM 0 H PHE A 7 34.480 42.713 37.259 1.00 0.00 H new ATOM 0 HA PHE A 7 34.874 41.296 34.870 1.00 0.00 H new ATOM 0 HB2 PHE A 7 34.499 43.775 35.103 1.00 0.00 H new ATOM 0 HB3 PHE A 7 36.141 43.925 35.699 1.00 0.00 H new ATOM 0 HD1 PHE A 7 34.275 42.429 32.844 1.00 0.00 H new ATOM 0 HD2 PHE A 7 37.821 44.345 34.173 1.00 0.00 H new ATOM 0 HE1 PHE A 7 35.121 42.450 30.542 1.00 0.00 H new ATOM 0 HE2 PHE A 7 38.668 44.381 31.874 1.00 0.00 H new ATOM 0 HZ PHE A 7 37.323 43.425 30.054 1.00 0.00 H new ATOM 103 N ASN A 8 37.501 41.586 36.829 1.00 0.00 N ATOM 104 CA ASN A 8 38.849 41.204 37.115 1.00 0.00 C ATOM 105 C ASN A 8 38.914 39.763 37.488 1.00 0.00 C ATOM 106 O ASN A 8 39.860 39.054 37.150 1.00 0.00 O ATOM 107 CB ASN A 8 39.377 42.128 38.225 1.00 0.00 C ATOM 108 CG ASN A 8 40.888 42.073 38.407 1.00 0.00 C ATOM 109 OD1 ASN A 8 41.458 41.055 38.797 1.00 0.00 O ATOM 110 ND2 ASN A 8 41.583 43.212 38.147 1.00 0.00 N ATOM 0 H ASN A 8 37.097 42.137 37.586 1.00 0.00 H new ATOM 0 HA ASN A 8 39.482 41.317 36.235 1.00 0.00 H new ATOM 0 HB2 ASN A 8 39.085 43.154 38.000 1.00 0.00 H new ATOM 0 HB3 ASN A 8 38.897 41.860 39.166 1.00 0.00 H new ATOM 0 HD21 ASN A 8 42.595 43.232 38.275 1.00 0.00 H new ATOM 0 HD22 ASN A 8 41.093 44.046 37.824 1.00 0.00 H new ATOM 117 N ASN A 9 37.864 39.229 38.138 1.00 0.00 N ATOM 118 CA ASN A 9 37.697 37.830 38.381 1.00 0.00 C ATOM 119 C ASN A 9 37.535 37.057 37.118 1.00 0.00 C ATOM 120 O ASN A 9 38.078 35.963 36.967 1.00 0.00 O ATOM 121 CB ASN A 9 36.504 37.534 39.306 1.00 0.00 C ATOM 122 CG ASN A 9 36.680 38.171 40.676 1.00 0.00 C ATOM 123 OD1 ASN A 9 37.732 38.686 41.056 1.00 0.00 O ATOM 124 ND2 ASN A 9 35.596 38.117 41.496 1.00 0.00 N ATOM 0 H ASN A 9 37.101 39.795 38.509 1.00 0.00 H new ATOM 0 HA ASN A 9 38.613 37.511 38.878 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.588 37.905 38.847 1.00 0.00 H new ATOM 0 HB3 ASN A 9 36.390 36.456 39.418 1.00 0.00 H new ATOM 0 HD21 ASN A 9 35.649 38.506 42.438 1.00 0.00 H new ATOM 0 HD22 ASN A 9 34.730 37.688 41.169 1.00 0.00 H new ATOM 131 N ALA A 10 36.832 37.624 36.122 1.00 0.00 N ATOM 132 CA ALA A 10 36.749 37.097 34.795 1.00 0.00 C ATOM 133 C ALA A 10 38.037 37.159 34.048 1.00 0.00 C ATOM 134 O ALA A 10 38.324 36.276 33.242 1.00 0.00 O ATOM 135 CB ALA A 10 35.608 37.748 33.995 1.00 0.00 C ATOM 0 H ALA A 10 36.299 38.485 36.246 1.00 0.00 H new ATOM 0 HA ALA A 10 36.520 36.038 34.914 1.00 0.00 H new ATOM 0 HB1 ALA A 10 35.577 37.322 32.992 1.00 0.00 H new ATOM 0 HB2 ALA A 10 34.659 37.562 34.498 1.00 0.00 H new ATOM 0 HB3 ALA A 10 35.778 38.822 33.927 1.00 0.00 H new ATOM 141 N ILE A 11 38.907 38.152 34.299 1.00 0.00 N ATOM 142 CA ILE A 11 40.238 38.203 33.778 1.00 0.00 C ATOM 143 C ILE A 11 41.105 37.123 34.327 1.00 0.00 C ATOM 144 O ILE A 11 41.812 36.427 33.600 1.00 0.00 O ATOM 145 CB ILE A 11 40.928 39.499 34.086 1.00 0.00 C ATOM 146 CG1 ILE A 11 40.123 40.737 33.657 1.00 0.00 C ATOM 147 CG2 ILE A 11 42.289 39.608 33.377 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.495 40.636 32.267 1.00 0.00 C ATOM 0 H ILE A 11 38.675 38.952 34.888 1.00 0.00 H new ATOM 0 HA ILE A 11 40.110 38.085 32.702 1.00 0.00 H new ATOM 0 HB ILE A 11 41.041 39.485 35.170 1.00 0.00 H new ATOM 0 HG12 ILE A 11 39.332 40.911 34.387 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.778 41.608 33.683 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.754 40.561 33.627 1.00 0.00 H new ATOM 0 HG22 ILE A 11 42.935 38.792 33.702 1.00 0.00 H new ATOM 0 HG23 ILE A 11 42.143 39.548 32.298 1.00 0.00 H new ATOM 0 HD11 ILE A 11 38.947 41.552 32.048 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.279 40.495 31.523 1.00 0.00 H new ATOM 0 HD13 ILE A 11 38.811 39.788 32.238 1.00 0.00 H new ATOM 160 N SER A 12 41.045 36.953 35.660 1.00 0.00 N ATOM 161 CA SER A 12 41.824 36.069 36.470 1.00 0.00 C ATOM 162 C SER A 12 41.808 34.652 36.009 1.00 0.00 C ATOM 163 O SER A 12 42.817 33.950 36.058 1.00 0.00 O ATOM 164 CB SER A 12 41.368 36.105 37.938 1.00 0.00 C ATOM 165 OG SER A 12 42.309 35.492 38.807 1.00 0.00 O ATOM 0 H SER A 12 40.385 37.489 36.223 1.00 0.00 H new ATOM 0 HA SER A 12 42.845 36.439 36.376 1.00 0.00 H new ATOM 0 HB2 SER A 12 41.214 37.140 38.244 1.00 0.00 H new ATOM 0 HB3 SER A 12 40.407 35.599 38.031 1.00 0.00 H new ATOM 0 HG SER A 12 41.981 35.538 39.729 1.00 0.00 H new ATOM 171 N TYR A 13 40.655 34.195 35.489 1.00 0.00 N ATOM 172 CA TYR A 13 40.479 32.873 34.972 1.00 0.00 C ATOM 173 C TYR A 13 41.195 32.676 33.682 1.00 0.00 C ATOM 174 O TYR A 13 41.984 31.745 33.532 1.00 0.00 O ATOM 175 CB TYR A 13 38.969 32.626 34.812 1.00 0.00 C ATOM 176 CG TYR A 13 38.632 31.233 34.408 1.00 0.00 C ATOM 177 CD1 TYR A 13 39.055 30.164 35.163 1.00 0.00 C ATOM 178 CD2 TYR A 13 37.888 31.005 33.273 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.722 28.882 34.795 1.00 0.00 C ATOM 180 CE2 TYR A 13 37.555 29.725 32.897 1.00 0.00 C ATOM 181 CZ TYR A 13 37.963 28.663 33.669 1.00 0.00 C ATOM 182 OH TYR A 13 37.587 27.348 33.322 1.00 0.00 O ATOM 0 H TYR A 13 39.813 34.768 35.426 1.00 0.00 H new ATOM 0 HA TYR A 13 40.910 32.152 35.667 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.470 32.853 35.754 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.573 33.317 34.068 1.00 0.00 H new ATOM 0 HD1 TYR A 13 39.651 30.332 36.048 1.00 0.00 H new ATOM 0 HD2 TYR A 13 37.562 31.840 32.671 1.00 0.00 H new ATOM 0 HE1 TYR A 13 39.057 28.046 35.391 1.00 0.00 H new ATOM 0 HE2 TYR A 13 36.977 29.555 32.001 1.00 0.00 H new ATOM 0 HH TYR A 13 37.397 26.836 34.136 1.00 0.00 H new ATOM 192 N VAL A 14 40.990 33.567 32.695 1.00 0.00 N ATOM 193 CA VAL A 14 41.611 33.551 31.407 1.00 0.00 C ATOM 194 C VAL A 14 43.087 33.736 31.498 1.00 0.00 C ATOM 195 O VAL A 14 43.857 33.092 30.788 1.00 0.00 O ATOM 196 CB VAL A 14 40.993 34.562 30.488 1.00 0.00 C ATOM 197 CG1 VAL A 14 41.250 34.184 29.019 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.464 34.575 30.657 1.00 0.00 C ATOM 0 H VAL A 14 40.347 34.351 32.806 1.00 0.00 H new ATOM 0 HA VAL A 14 41.435 32.563 30.981 1.00 0.00 H new ATOM 0 HB VAL A 14 41.433 35.528 30.734 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.794 34.929 28.367 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.324 34.149 28.835 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.814 33.206 28.813 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.030 35.314 29.983 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.063 33.589 30.421 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.214 34.831 31.686 1.00 0.00 H new ATOM 208 N ASN A 15 43.558 34.579 32.434 1.00 0.00 N ATOM 209 CA ASN A 15 44.929 34.655 32.835 1.00 0.00 C ATOM 210 C ASN A 15 45.513 33.386 33.352 1.00 0.00 C ATOM 211 O ASN A 15 46.609 32.990 32.958 1.00 0.00 O ATOM 212 CB ASN A 15 45.130 35.768 33.877 1.00 0.00 C ATOM 213 CG ASN A 15 46.521 36.385 33.842 1.00 0.00 C ATOM 214 OD1 ASN A 15 46.720 37.499 33.359 1.00 0.00 O ATOM 215 ND2 ASN A 15 47.530 35.680 34.420 1.00 0.00 N ATOM 0 H ASN A 15 42.958 35.236 32.933 1.00 0.00 H new ATOM 0 HA ASN A 15 45.468 34.879 31.914 1.00 0.00 H new ATOM 0 HB2 ASN A 15 44.389 36.550 33.710 1.00 0.00 H new ATOM 0 HB3 ASN A 15 44.946 35.362 34.872 1.00 0.00 H new ATOM 0 HD21 ASN A 15 48.470 36.073 34.458 1.00 0.00 H new ATOM 0 HD22 ASN A 15 47.347 34.758 34.815 1.00 0.00 H new ATOM 222 N LYS A 16 44.837 32.657 34.258 1.00 0.00 N ATOM 223 CA LYS A 16 45.253 31.384 34.762 1.00 0.00 C ATOM 224 C LYS A 16 45.307 30.334 33.706 1.00 0.00 C ATOM 225 O LYS A 16 46.254 29.555 33.623 1.00 0.00 O ATOM 226 CB LYS A 16 44.303 30.990 35.905 1.00 0.00 C ATOM 227 CG LYS A 16 44.677 29.657 36.555 1.00 0.00 C ATOM 228 CD LYS A 16 44.156 29.477 37.983 1.00 0.00 C ATOM 229 CE LYS A 16 42.633 29.467 38.137 1.00 0.00 C ATOM 230 NZ LYS A 16 42.270 29.331 39.565 1.00 0.00 N ATOM 0 H LYS A 16 43.954 32.972 34.660 1.00 0.00 H new ATOM 0 HA LYS A 16 46.274 31.467 35.134 1.00 0.00 H new ATOM 0 HB2 LYS A 16 44.310 31.773 36.663 1.00 0.00 H new ATOM 0 HB3 LYS A 16 43.285 30.928 35.520 1.00 0.00 H new ATOM 0 HG2 LYS A 16 44.293 28.846 35.937 1.00 0.00 H new ATOM 0 HG3 LYS A 16 45.763 29.564 36.564 1.00 0.00 H new ATOM 0 HD2 LYS A 16 44.549 28.540 38.378 1.00 0.00 H new ATOM 0 HD3 LYS A 16 44.560 30.278 38.601 1.00 0.00 H new ATOM 0 HE2 LYS A 16 42.212 30.387 37.732 1.00 0.00 H new ATOM 0 HE3 LYS A 16 42.207 28.643 37.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 41.438 29.920 39.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 42.050 28.336 39.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 43.067 29.641 40.157 1.00 0.00 H new ATOM 244 N ILE A 17 44.322 30.344 32.789 1.00 0.00 N ATOM 245 CA ILE A 17 44.275 29.571 31.587 1.00 0.00 C ATOM 246 C ILE A 17 45.469 29.779 30.721 1.00 0.00 C ATOM 247 O ILE A 17 46.124 28.800 30.364 1.00 0.00 O ATOM 248 CB ILE A 17 42.972 29.819 30.890 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.874 29.036 31.629 1.00 0.00 C ATOM 250 CG2 ILE A 17 43.019 29.462 29.394 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.457 29.290 31.116 1.00 0.00 C ATOM 0 H ILE A 17 43.499 30.937 32.898 1.00 0.00 H new ATOM 0 HA ILE A 17 44.319 28.513 31.845 1.00 0.00 H new ATOM 0 HB ILE A 17 42.753 30.886 30.921 1.00 0.00 H new ATOM 0 HG12 ILE A 17 42.090 27.971 31.549 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.914 29.291 32.688 1.00 0.00 H new ATOM 0 HG21 ILE A 17 42.048 29.662 28.941 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.781 30.065 28.900 1.00 0.00 H new ATOM 0 HG23 ILE A 17 43.262 28.406 29.279 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.749 28.697 31.695 1.00 0.00 H new ATOM 0 HD12 ILE A 17 40.216 30.348 31.222 1.00 0.00 H new ATOM 0 HD13 ILE A 17 40.394 29.007 30.065 1.00 0.00 H new ATOM 263 N LYS A 18 45.845 31.032 30.409 1.00 0.00 N ATOM 264 CA LYS A 18 47.060 31.375 29.738 1.00 0.00 C ATOM 265 C LYS A 18 48.272 30.823 30.405 1.00 0.00 C ATOM 266 O LYS A 18 49.132 30.229 29.755 1.00 0.00 O ATOM 267 CB LYS A 18 47.272 32.896 29.640 1.00 0.00 C ATOM 268 CG LYS A 18 46.417 33.628 28.604 1.00 0.00 C ATOM 269 CD LYS A 18 46.665 35.134 28.706 1.00 0.00 C ATOM 270 CE LYS A 18 46.515 35.893 27.386 1.00 0.00 C ATOM 271 NZ LYS A 18 47.707 35.718 26.527 1.00 0.00 N ATOM 0 H LYS A 18 45.273 31.846 30.636 1.00 0.00 H new ATOM 0 HA LYS A 18 46.942 30.936 28.747 1.00 0.00 H new ATOM 0 HB2 LYS A 18 47.075 33.334 30.619 1.00 0.00 H new ATOM 0 HB3 LYS A 18 48.322 33.082 29.413 1.00 0.00 H new ATOM 0 HG2 LYS A 18 46.661 33.276 27.602 1.00 0.00 H new ATOM 0 HG3 LYS A 18 45.362 33.411 28.770 1.00 0.00 H new ATOM 0 HD2 LYS A 18 45.971 35.555 29.433 1.00 0.00 H new ATOM 0 HD3 LYS A 18 47.671 35.298 29.093 1.00 0.00 H new ATOM 0 HE2 LYS A 18 45.629 35.539 26.859 1.00 0.00 H new ATOM 0 HE3 LYS A 18 46.363 36.953 27.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 47.576 36.244 25.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 48.548 36.078 27.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 47.837 34.708 26.315 1.00 0.00 H new ATOM 285 N THR A 19 48.373 30.974 31.737 1.00 0.00 N ATOM 286 CA THR A 19 49.472 30.528 32.535 1.00 0.00 C ATOM 287 C THR A 19 49.751 29.065 32.476 1.00 0.00 C ATOM 288 O THR A 19 50.908 28.656 32.379 1.00 0.00 O ATOM 289 CB THR A 19 49.316 30.923 33.974 1.00 0.00 C ATOM 290 OG1 THR A 19 48.991 32.299 34.096 1.00 0.00 O ATOM 291 CG2 THR A 19 50.657 30.754 34.707 1.00 0.00 C ATOM 0 H THR A 19 47.647 31.433 32.287 1.00 0.00 H new ATOM 0 HA THR A 19 50.326 31.034 32.085 1.00 0.00 H new ATOM 0 HB THR A 19 48.529 30.295 34.392 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.070 32.446 33.795 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.539 31.042 35.752 1.00 0.00 H new ATOM 0 HG22 THR A 19 50.974 29.712 34.651 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.410 31.388 34.239 1.00 0.00 H new ATOM 299 N ARG A 20 48.737 28.183 32.520 1.00 0.00 N ATOM 300 CA ARG A 20 48.965 26.780 32.361 1.00 0.00 C ATOM 301 C ARG A 20 49.021 26.330 30.941 1.00 0.00 C ATOM 302 O ARG A 20 49.530 25.247 30.653 1.00 0.00 O ATOM 303 CB ARG A 20 47.900 25.968 33.116 1.00 0.00 C ATOM 304 CG ARG A 20 47.997 26.019 34.643 1.00 0.00 C ATOM 305 CD ARG A 20 49.326 25.479 35.174 1.00 0.00 C ATOM 306 NE ARG A 20 49.145 25.139 36.613 1.00 0.00 N ATOM 307 CZ ARG A 20 50.146 24.604 37.372 1.00 0.00 C ATOM 308 NH1 ARG A 20 51.415 24.433 36.901 1.00 0.00 N ATOM 309 NH2 ARG A 20 49.880 24.187 38.644 1.00 0.00 N ATOM 0 H ARG A 20 47.761 28.440 32.665 1.00 0.00 H new ATOM 0 HA ARG A 20 49.952 26.597 32.786 1.00 0.00 H new ATOM 0 HB2 ARG A 20 46.915 26.328 32.819 1.00 0.00 H new ATOM 0 HB3 ARG A 20 47.968 24.927 32.799 1.00 0.00 H new ATOM 0 HG2 ARG A 20 47.870 27.049 34.976 1.00 0.00 H new ATOM 0 HG3 ARG A 20 47.178 25.442 35.073 1.00 0.00 H new ATOM 0 HD2 ARG A 20 49.631 24.598 34.610 1.00 0.00 H new ATOM 0 HD3 ARG A 20 50.114 26.223 35.055 1.00 0.00 H new ATOM 0 HE ARG A 20 48.239 25.312 37.048 1.00 0.00 H new ATOM 0 HH11 ARG A 20 51.646 24.709 35.947 1.00 0.00 H new ATOM 0 HH12 ARG A 20 52.132 24.029 37.503 1.00 0.00 H new ATOM 0 HH21 ARG A 20 48.937 24.276 39.023 1.00 0.00 H new ATOM 0 HH22 ARG A 20 50.624 23.787 39.215 1.00 0.00 H new ATOM 323 N PHE A 21 48.551 27.149 29.984 1.00 0.00 N ATOM 324 CA PHE A 21 48.643 26.876 28.584 1.00 0.00 C ATOM 325 C PHE A 21 49.655 27.735 27.908 1.00 0.00 C ATOM 326 O PHE A 21 49.412 28.313 26.850 1.00 0.00 O ATOM 327 CB PHE A 21 47.285 27.059 27.887 1.00 0.00 C ATOM 328 CG PHE A 21 46.248 26.059 28.268 1.00 0.00 C ATOM 329 CD1 PHE A 21 46.528 24.769 28.655 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.935 26.456 28.180 1.00 0.00 C ATOM 331 CE1 PHE A 21 45.515 23.899 28.984 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.913 25.601 28.522 1.00 0.00 C ATOM 333 CZ PHE A 21 44.207 24.319 28.923 1.00 0.00 C ATOM 0 H PHE A 21 48.090 28.034 30.193 1.00 0.00 H new ATOM 0 HA PHE A 21 48.958 25.836 28.499 1.00 0.00 H new ATOM 0 HB2 PHE A 21 46.908 28.057 28.113 1.00 0.00 H new ATOM 0 HB3 PHE A 21 47.436 27.012 26.809 1.00 0.00 H new ATOM 0 HD1 PHE A 21 47.554 24.436 28.701 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.702 27.453 27.837 1.00 0.00 H new ATOM 0 HE1 PHE A 21 45.746 22.889 29.289 1.00 0.00 H new ATOM 0 HE2 PHE A 21 42.887 25.934 28.476 1.00 0.00 H new ATOM 0 HZ PHE A 21 43.410 23.641 29.190 1.00 0.00 H new ATOM 343 N LEU A 22 50.890 27.780 28.439 1.00 0.00 N ATOM 344 CA LEU A 22 52.016 28.352 27.768 1.00 0.00 C ATOM 345 C LEU A 22 52.574 27.375 26.792 1.00 0.00 C ATOM 346 O LEU A 22 52.969 27.700 25.673 1.00 0.00 O ATOM 347 CB LEU A 22 53.103 28.813 28.754 1.00 0.00 C ATOM 348 CG LEU A 22 52.570 29.904 29.698 1.00 0.00 C ATOM 349 CD1 LEU A 22 53.613 30.146 30.802 1.00 0.00 C ATOM 350 CD2 LEU A 22 52.211 31.231 29.008 1.00 0.00 C ATOM 0 H LEU A 22 51.112 27.408 29.362 1.00 0.00 H new ATOM 0 HA LEU A 22 51.672 29.238 27.235 1.00 0.00 H new ATOM 0 HB2 LEU A 22 53.453 27.962 29.338 1.00 0.00 H new ATOM 0 HB3 LEU A 22 53.961 29.194 28.201 1.00 0.00 H new ATOM 0 HG LEU A 22 51.630 29.535 30.107 1.00 0.00 H new ATOM 0 HD11 LEU A 22 53.251 30.918 31.481 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.777 29.222 31.357 1.00 0.00 H new ATOM 0 HD13 LEU A 22 54.551 30.470 30.351 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.844 31.940 29.751 1.00 0.00 H new ATOM 0 HD22 LEU A 22 53.097 31.640 28.522 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.437 31.055 28.261 1.00 0.00 H new ATOM 362 N ASP A 23 52.530 26.089 27.183 1.00 0.00 N ATOM 363 CA ASP A 23 52.813 24.959 26.353 1.00 0.00 C ATOM 364 C ASP A 23 51.840 24.806 25.233 1.00 0.00 C ATOM 365 O ASP A 23 52.151 24.263 24.174 1.00 0.00 O ATOM 366 CB ASP A 23 52.791 23.741 27.292 1.00 0.00 C ATOM 367 CG ASP A 23 53.425 22.492 26.697 1.00 0.00 C ATOM 368 OD1 ASP A 23 54.680 22.383 26.718 1.00 0.00 O ATOM 369 OD2 ASP A 23 52.667 21.580 26.270 1.00 0.00 O ATOM 0 H ASP A 23 52.282 25.823 28.136 1.00 0.00 H new ATOM 0 HA ASP A 23 53.779 25.076 25.862 1.00 0.00 H new ATOM 0 HB2 ASP A 23 53.312 23.997 28.215 1.00 0.00 H new ATOM 0 HB3 ASP A 23 51.758 23.520 27.560 1.00 0.00 H new ATOM 374 N HIS A 24 50.610 25.321 25.400 1.00 0.00 N ATOM 375 CA HIS A 24 49.534 25.165 24.470 1.00 0.00 C ATOM 376 C HIS A 24 48.950 26.479 24.076 1.00 0.00 C ATOM 377 O HIS A 24 47.887 26.809 24.599 1.00 0.00 O ATOM 378 CB HIS A 24 48.457 24.270 25.105 1.00 0.00 C ATOM 379 CG HIS A 24 48.856 22.836 25.290 1.00 0.00 C ATOM 380 ND1 HIS A 24 49.270 22.059 24.240 1.00 0.00 N ATOM 381 CD2 HIS A 24 48.810 22.024 26.380 1.00 0.00 C ATOM 382 CE1 HIS A 24 49.483 20.829 24.671 1.00 0.00 C ATOM 383 NE2 HIS A 24 49.208 20.781 25.961 1.00 0.00 N ATOM 0 H HIS A 24 50.353 25.871 26.220 1.00 0.00 H new ATOM 0 HA HIS A 24 49.920 24.701 23.562 1.00 0.00 H new ATOM 0 HB2 HIS A 24 48.187 24.685 26.076 1.00 0.00 H new ATOM 0 HB3 HIS A 24 47.563 24.306 24.483 1.00 0.00 H new ATOM 0 HD2 HIS A 24 48.517 22.304 27.381 1.00 0.00 H new ATOM 0 HE1 HIS A 24 49.825 20.001 24.068 1.00 0.00 H new ATOM 0 HE2 HIS A 24 49.280 19.952 26.551 1.00 0.00 H new ATOM 392 N PRO A 25 49.456 27.289 23.195 1.00 0.00 N ATOM 393 CA PRO A 25 48.884 28.578 22.930 1.00 0.00 C ATOM 394 C PRO A 25 47.622 28.529 22.141 1.00 0.00 C ATOM 395 O PRO A 25 46.921 29.534 22.030 1.00 0.00 O ATOM 396 CB PRO A 25 49.938 29.324 22.113 1.00 0.00 C ATOM 397 CG PRO A 25 51.258 28.618 22.462 1.00 0.00 C ATOM 398 CD PRO A 25 50.793 27.163 22.638 1.00 0.00 C ATOM 0 HA PRO A 25 48.625 29.054 23.876 1.00 0.00 H new ATOM 0 HB2 PRO A 25 49.727 29.268 21.045 1.00 0.00 H new ATOM 0 HB3 PRO A 25 49.971 30.381 22.376 1.00 0.00 H new ATOM 0 HG2 PRO A 25 51.999 28.718 21.669 1.00 0.00 H new ATOM 0 HG3 PRO A 25 51.708 29.017 23.371 1.00 0.00 H new ATOM 0 HD2 PRO A 25 50.781 26.629 21.688 1.00 0.00 H new ATOM 0 HD3 PRO A 25 51.454 26.610 23.306 1.00 0.00 H new ATOM 406 N GLU A 26 47.325 27.362 21.542 1.00 0.00 N ATOM 407 CA GLU A 26 46.346 27.168 20.517 1.00 0.00 C ATOM 408 C GLU A 26 44.956 27.066 21.043 1.00 0.00 C ATOM 409 O GLU A 26 43.973 27.306 20.342 1.00 0.00 O ATOM 410 CB GLU A 26 46.670 25.883 19.736 1.00 0.00 C ATOM 411 CG GLU A 26 48.173 25.637 19.581 1.00 0.00 C ATOM 412 CD GLU A 26 48.468 24.473 18.646 1.00 0.00 C ATOM 413 OE1 GLU A 26 48.019 24.486 17.469 1.00 0.00 O ATOM 414 OE2 GLU A 26 49.172 23.523 19.081 1.00 0.00 O ATOM 0 H GLU A 26 47.802 26.495 21.791 1.00 0.00 H new ATOM 0 HA GLU A 26 46.390 28.047 19.874 1.00 0.00 H new ATOM 0 HB2 GLU A 26 46.219 25.032 20.246 1.00 0.00 H new ATOM 0 HB3 GLU A 26 46.214 25.941 18.748 1.00 0.00 H new ATOM 0 HG2 GLU A 26 48.650 26.539 19.198 1.00 0.00 H new ATOM 0 HG3 GLU A 26 48.610 25.436 20.559 1.00 0.00 H new ATOM 421 N ILE A 27 44.826 26.724 22.337 1.00 0.00 N ATOM 422 CA ILE A 27 43.606 26.567 23.066 1.00 0.00 C ATOM 423 C ILE A 27 42.792 27.815 23.055 1.00 0.00 C ATOM 424 O ILE A 27 41.563 27.780 23.036 1.00 0.00 O ATOM 425 CB ILE A 27 43.859 26.132 24.479 1.00 0.00 C ATOM 426 CG1 ILE A 27 45.039 25.154 24.608 1.00 0.00 C ATOM 427 CG2 ILE A 27 42.608 25.493 25.103 1.00 0.00 C ATOM 428 CD1 ILE A 27 44.985 23.911 23.721 1.00 0.00 C ATOM 0 H ILE A 27 45.643 26.543 22.920 1.00 0.00 H new ATOM 0 HA ILE A 27 43.040 25.785 22.560 1.00 0.00 H new ATOM 0 HB ILE A 27 44.116 27.043 25.020 1.00 0.00 H new ATOM 0 HG12 ILE A 27 45.958 25.695 24.384 1.00 0.00 H new ATOM 0 HG13 ILE A 27 45.104 24.831 25.647 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.827 25.189 26.127 1.00 0.00 H new ATOM 0 HG22 ILE A 27 41.793 26.216 25.105 1.00 0.00 H new ATOM 0 HG23 ILE A 27 42.316 24.619 24.520 1.00 0.00 H new ATOM 0 HD11 ILE A 27 45.869 23.298 23.899 1.00 0.00 H new ATOM 0 HD12 ILE A 27 44.090 23.335 23.956 1.00 0.00 H new ATOM 0 HD13 ILE A 27 44.958 24.212 22.674 1.00 0.00 H new ATOM 440 N TYR A 28 43.467 28.976 22.970 1.00 0.00 N ATOM 441 CA TYR A 28 42.901 30.277 22.784 1.00 0.00 C ATOM 442 C TYR A 28 42.087 30.431 21.546 1.00 0.00 C ATOM 443 O TYR A 28 41.235 31.313 21.459 1.00 0.00 O ATOM 444 CB TYR A 28 44.041 31.310 22.799 1.00 0.00 C ATOM 445 CG TYR A 28 43.746 32.477 23.678 1.00 0.00 C ATOM 446 CD1 TYR A 28 44.043 32.416 25.018 1.00 0.00 C ATOM 447 CD2 TYR A 28 43.199 33.631 23.167 1.00 0.00 C ATOM 448 CE1 TYR A 28 43.784 33.484 25.844 1.00 0.00 C ATOM 449 CE2 TYR A 28 42.958 34.713 23.981 1.00 0.00 C ATOM 450 CZ TYR A 28 43.257 34.641 25.321 1.00 0.00 C ATOM 451 OH TYR A 28 43.032 35.746 26.169 1.00 0.00 O ATOM 0 H TYR A 28 44.484 29.006 23.036 1.00 0.00 H new ATOM 0 HA TYR A 28 42.201 30.436 23.604 1.00 0.00 H new ATOM 0 HB2 TYR A 28 44.958 30.828 23.137 1.00 0.00 H new ATOM 0 HB3 TYR A 28 44.221 31.661 21.783 1.00 0.00 H new ATOM 0 HD1 TYR A 28 44.485 31.519 25.427 1.00 0.00 H new ATOM 0 HD2 TYR A 28 42.956 33.688 22.116 1.00 0.00 H new ATOM 0 HE1 TYR A 28 43.994 33.414 26.901 1.00 0.00 H new ATOM 0 HE2 TYR A 28 42.535 35.617 23.569 1.00 0.00 H new ATOM 0 HH TYR A 28 42.599 36.464 25.662 1.00 0.00 H new ATOM 461 N ARG A 29 42.228 29.546 20.542 1.00 0.00 N ATOM 462 CA ARG A 29 41.324 29.493 19.435 1.00 0.00 C ATOM 463 C ARG A 29 40.079 28.749 19.774 1.00 0.00 C ATOM 464 O ARG A 29 38.986 29.311 19.742 1.00 0.00 O ATOM 465 CB ARG A 29 41.950 28.820 18.202 1.00 0.00 C ATOM 466 CG ARG A 29 42.959 29.641 17.396 1.00 0.00 C ATOM 467 CD ARG A 29 44.272 30.016 18.086 1.00 0.00 C ATOM 468 NE ARG A 29 45.321 30.280 17.060 1.00 0.00 N ATOM 469 CZ ARG A 29 45.278 31.235 16.087 1.00 0.00 C ATOM 470 NH1 ARG A 29 44.403 32.283 16.127 1.00 0.00 N ATOM 471 NH2 ARG A 29 46.158 31.154 15.046 1.00 0.00 N ATOM 0 H ARG A 29 42.980 28.858 20.498 1.00 0.00 H new ATOM 0 HA ARG A 29 41.089 30.532 19.204 1.00 0.00 H new ATOM 0 HB2 ARG A 29 42.444 27.905 18.530 1.00 0.00 H new ATOM 0 HB3 ARG A 29 41.143 28.524 17.532 1.00 0.00 H new ATOM 0 HG2 ARG A 29 43.201 29.083 16.491 1.00 0.00 H new ATOM 0 HG3 ARG A 29 42.469 30.562 17.081 1.00 0.00 H new ATOM 0 HD2 ARG A 29 44.128 30.899 18.708 1.00 0.00 H new ATOM 0 HD3 ARG A 29 44.590 29.209 18.746 1.00 0.00 H new ATOM 0 HE ARG A 29 46.152 29.689 17.088 1.00 0.00 H new ATOM 0 HH11 ARG A 29 43.750 32.372 16.905 1.00 0.00 H new ATOM 0 HH12 ARG A 29 44.403 32.976 15.379 1.00 0.00 H new ATOM 0 HH21 ARG A 29 46.832 30.389 15.006 1.00 0.00 H new ATOM 0 HH22 ARG A 29 46.142 31.858 14.308 1.00 0.00 H new ATOM 485 N SER A 30 40.179 27.454 20.127 1.00 0.00 N ATOM 486 CA SER A 30 39.075 26.547 20.171 1.00 0.00 C ATOM 487 C SER A 30 38.242 26.614 21.405 1.00 0.00 C ATOM 488 O SER A 30 37.069 26.246 21.362 1.00 0.00 O ATOM 489 CB SER A 30 39.511 25.101 19.876 1.00 0.00 C ATOM 490 OG SER A 30 40.714 24.749 20.544 1.00 0.00 O ATOM 0 H SER A 30 41.064 27.023 20.392 1.00 0.00 H new ATOM 0 HA SER A 30 38.419 26.891 19.371 1.00 0.00 H new ATOM 0 HB2 SER A 30 38.718 24.417 20.178 1.00 0.00 H new ATOM 0 HB3 SER A 30 39.646 24.978 18.801 1.00 0.00 H new ATOM 0 HG SER A 30 40.949 23.823 20.328 1.00 0.00 H new ATOM 496 N PHE A 31 38.776 27.115 22.533 1.00 0.00 N ATOM 497 CA PHE A 31 38.048 27.365 23.738 1.00 0.00 C ATOM 498 C PHE A 31 36.980 28.394 23.599 1.00 0.00 C ATOM 499 O PHE A 31 35.804 28.131 23.845 1.00 0.00 O ATOM 500 CB PHE A 31 39.074 27.745 24.819 1.00 0.00 C ATOM 501 CG PHE A 31 38.581 28.293 26.114 1.00 0.00 C ATOM 502 CD1 PHE A 31 37.468 27.787 26.744 1.00 0.00 C ATOM 503 CD2 PHE A 31 39.247 29.350 26.688 1.00 0.00 C ATOM 504 CE1 PHE A 31 36.995 28.366 27.898 1.00 0.00 C ATOM 505 CE2 PHE A 31 38.791 29.924 27.851 1.00 0.00 C ATOM 506 CZ PHE A 31 37.660 29.432 28.458 1.00 0.00 C ATOM 0 H PHE A 31 39.764 27.358 22.608 1.00 0.00 H new ATOM 0 HA PHE A 31 37.504 26.462 24.014 1.00 0.00 H new ATOM 0 HB2 PHE A 31 39.665 26.856 25.040 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.753 28.480 24.386 1.00 0.00 H new ATOM 0 HD1 PHE A 31 36.962 26.928 26.329 1.00 0.00 H new ATOM 0 HD2 PHE A 31 40.141 29.735 26.219 1.00 0.00 H new ATOM 0 HE1 PHE A 31 36.100 27.983 28.366 1.00 0.00 H new ATOM 0 HE2 PHE A 31 39.320 30.759 28.286 1.00 0.00 H new ATOM 0 HZ PHE A 31 37.295 29.880 29.370 1.00 0.00 H new ATOM 516 N LEU A 32 37.331 29.629 23.200 1.00 0.00 N ATOM 517 CA LEU A 32 36.437 30.746 23.185 1.00 0.00 C ATOM 518 C LEU A 32 35.337 30.588 22.194 1.00 0.00 C ATOM 519 O LEU A 32 34.189 30.966 22.424 1.00 0.00 O ATOM 520 CB LEU A 32 37.139 32.052 22.774 1.00 0.00 C ATOM 521 CG LEU A 32 38.551 32.242 23.354 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.244 33.293 22.471 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.541 32.616 24.846 1.00 0.00 C ATOM 0 H LEU A 32 38.271 29.859 22.876 1.00 0.00 H new ATOM 0 HA LEU A 32 36.058 30.788 24.206 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.202 32.086 21.686 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.519 32.893 23.084 1.00 0.00 H new ATOM 0 HG LEU A 32 39.105 31.303 23.332 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.255 33.468 22.839 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.289 32.932 21.443 1.00 0.00 H new ATOM 0 HD13 LEU A 32 38.680 34.225 22.504 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.566 32.737 25.198 1.00 0.00 H new ATOM 0 HD22 LEU A 32 37.998 33.551 24.983 1.00 0.00 H new ATOM 0 HD23 LEU A 32 38.052 31.826 25.416 1.00 0.00 H new ATOM 535 N GLU A 33 35.687 30.001 21.036 1.00 0.00 N ATOM 536 CA GLU A 33 34.787 29.561 20.014 1.00 0.00 C ATOM 537 C GLU A 33 33.630 28.730 20.450 1.00 0.00 C ATOM 538 O GLU A 33 32.569 28.785 19.831 1.00 0.00 O ATOM 539 CB GLU A 33 35.550 28.892 18.858 1.00 0.00 C ATOM 540 CG GLU A 33 35.826 29.844 17.693 1.00 0.00 C ATOM 541 CD GLU A 33 34.583 30.157 16.871 1.00 0.00 C ATOM 542 OE1 GLU A 33 34.036 29.218 16.234 1.00 0.00 O ATOM 543 OE2 GLU A 33 34.137 31.334 16.830 1.00 0.00 O ATOM 0 H GLU A 33 36.663 29.822 20.798 1.00 0.00 H new ATOM 0 HA GLU A 33 34.318 30.483 19.670 1.00 0.00 H new ATOM 0 HB2 GLU A 33 36.496 28.501 19.233 1.00 0.00 H new ATOM 0 HB3 GLU A 33 34.975 28.040 18.495 1.00 0.00 H new ATOM 0 HG2 GLU A 33 36.241 30.774 18.082 1.00 0.00 H new ATOM 0 HG3 GLU A 33 36.583 29.404 17.043 1.00 0.00 H new ATOM 550 N ILE A 34 33.727 27.963 21.550 1.00 0.00 N ATOM 551 CA ILE A 34 32.635 27.256 22.145 1.00 0.00 C ATOM 552 C ILE A 34 31.691 28.187 22.825 1.00 0.00 C ATOM 553 O ILE A 34 30.485 28.131 22.589 1.00 0.00 O ATOM 554 CB ILE A 34 33.145 26.173 23.047 1.00 0.00 C ATOM 555 CG1 ILE A 34 33.778 25.068 22.184 1.00 0.00 C ATOM 556 CG2 ILE A 34 32.034 25.601 23.943 1.00 0.00 C ATOM 557 CD1 ILE A 34 34.767 24.212 22.975 1.00 0.00 C ATOM 0 H ILE A 34 34.607 27.829 22.048 1.00 0.00 H new ATOM 0 HA ILE A 34 32.059 26.770 21.358 1.00 0.00 H new ATOM 0 HB ILE A 34 33.895 26.596 23.715 1.00 0.00 H new ATOM 0 HG12 ILE A 34 32.992 24.431 21.779 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.290 25.521 21.335 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.447 24.819 24.580 1.00 0.00 H new ATOM 0 HG22 ILE A 34 31.622 26.396 24.564 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.244 25.182 23.320 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.188 23.446 22.323 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.569 24.843 23.358 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.251 23.736 23.808 1.00 0.00 H new ATOM 569 N LEU A 35 32.164 29.152 23.635 1.00 0.00 N ATOM 570 CA LEU A 35 31.338 30.171 24.203 1.00 0.00 C ATOM 571 C LEU A 35 30.681 31.020 23.168 1.00 0.00 C ATOM 572 O LEU A 35 29.523 31.421 23.266 1.00 0.00 O ATOM 573 CB LEU A 35 32.163 31.104 25.105 1.00 0.00 C ATOM 574 CG LEU A 35 33.228 30.484 26.024 1.00 0.00 C ATOM 575 CD1 LEU A 35 33.388 31.359 27.279 1.00 0.00 C ATOM 576 CD2 LEU A 35 33.025 29.089 26.642 1.00 0.00 C ATOM 0 H LEU A 35 33.146 29.225 23.901 1.00 0.00 H new ATOM 0 HA LEU A 35 30.574 29.646 24.776 1.00 0.00 H new ATOM 0 HB2 LEU A 35 32.662 31.830 24.463 1.00 0.00 H new ATOM 0 HB3 LEU A 35 31.466 31.659 25.733 1.00 0.00 H new ATOM 0 HG LEU A 35 34.053 30.409 25.315 1.00 0.00 H new ATOM 0 HD11 LEU A 35 34.143 30.922 27.933 1.00 0.00 H new ATOM 0 HD12 LEU A 35 33.698 32.362 26.986 1.00 0.00 H new ATOM 0 HD13 LEU A 35 32.437 31.414 27.808 1.00 0.00 H new ATOM 0 HD21 LEU A 35 33.888 28.834 27.257 1.00 0.00 H new ATOM 0 HD22 LEU A 35 32.127 29.092 27.260 1.00 0.00 H new ATOM 0 HD23 LEU A 35 32.916 28.351 25.847 1.00 0.00 H new ATOM 588 N HIS A 36 31.434 31.295 22.089 1.00 0.00 N ATOM 589 CA HIS A 36 31.027 32.022 20.927 1.00 0.00 C ATOM 590 C HIS A 36 29.990 31.327 20.114 1.00 0.00 C ATOM 591 O HIS A 36 29.278 31.983 19.356 1.00 0.00 O ATOM 592 CB HIS A 36 32.225 32.399 20.039 1.00 0.00 C ATOM 593 CG HIS A 36 32.096 33.745 19.390 1.00 0.00 C ATOM 594 ND1 HIS A 36 31.012 34.088 18.625 1.00 0.00 N ATOM 595 CD2 HIS A 36 32.890 34.848 19.459 1.00 0.00 C ATOM 596 CE1 HIS A 36 31.136 35.344 18.239 1.00 0.00 C ATOM 597 NE2 HIS A 36 32.258 35.826 18.739 1.00 0.00 N ATOM 0 H HIS A 36 32.403 30.984 22.025 1.00 0.00 H new ATOM 0 HA HIS A 36 30.569 32.932 21.314 1.00 0.00 H new ATOM 0 HB2 HIS A 36 33.132 32.382 20.643 1.00 0.00 H new ATOM 0 HB3 HIS A 36 32.344 31.642 19.264 1.00 0.00 H new ATOM 0 HD1 HIS A 36 30.234 33.471 18.391 1.00 0.00 H new ATOM 0 HD2 HIS A 36 33.833 34.935 19.979 1.00 0.00 H new ATOM 0 HE1 HIS A 36 30.437 35.886 17.619 1.00 0.00 H new ATOM 606 N THR A 37 29.815 30.002 20.270 1.00 0.00 N ATOM 607 CA THR A 37 28.741 29.241 19.712 1.00 0.00 C ATOM 608 C THR A 37 27.427 29.668 20.272 1.00 0.00 C ATOM 609 O THR A 37 26.423 29.749 19.566 1.00 0.00 O ATOM 610 CB THR A 37 28.964 27.760 19.770 1.00 0.00 C ATOM 611 OG1 THR A 37 28.758 27.157 18.502 1.00 0.00 O ATOM 612 CG2 THR A 37 28.040 27.001 20.739 1.00 0.00 C ATOM 0 H THR A 37 30.460 29.431 20.816 1.00 0.00 H new ATOM 0 HA THR A 37 28.716 29.466 18.646 1.00 0.00 H new ATOM 0 HB THR A 37 29.994 27.679 20.118 1.00 0.00 H new ATOM 0 HG1 THR A 37 28.912 26.192 18.570 1.00 0.00 H new ATOM 0 HG21 THR A 37 28.278 25.938 20.711 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.185 27.378 21.751 1.00 0.00 H new ATOM 0 HG23 THR A 37 27.002 27.149 20.442 1.00 0.00 H new ATOM 620 N TYR A 38 27.403 30.044 21.563 1.00 0.00 N ATOM 621 CA TYR A 38 26.281 30.686 22.173 1.00 0.00 C ATOM 622 C TYR A 38 26.207 32.124 21.793 1.00 0.00 C ATOM 623 O TYR A 38 25.221 32.584 21.220 1.00 0.00 O ATOM 624 CB TYR A 38 26.292 30.418 23.688 1.00 0.00 C ATOM 625 CG TYR A 38 25.994 31.524 24.640 1.00 0.00 C ATOM 626 CD1 TYR A 38 24.810 32.215 24.543 1.00 0.00 C ATOM 627 CD2 TYR A 38 26.900 31.872 25.615 1.00 0.00 C ATOM 628 CE1 TYR A 38 24.546 33.278 25.373 1.00 0.00 C ATOM 629 CE2 TYR A 38 26.644 32.937 26.446 1.00 0.00 C ATOM 630 CZ TYR A 38 25.470 33.644 26.323 1.00 0.00 C ATOM 631 OH TYR A 38 25.219 34.745 27.168 1.00 0.00 O ATOM 0 H TYR A 38 28.186 29.897 22.200 1.00 0.00 H new ATOM 0 HA TYR A 38 25.353 30.258 21.794 1.00 0.00 H new ATOM 0 HB2 TYR A 38 25.574 29.621 23.882 1.00 0.00 H new ATOM 0 HB3 TYR A 38 27.278 30.028 23.942 1.00 0.00 H new ATOM 0 HD1 TYR A 38 24.078 31.919 23.806 1.00 0.00 H new ATOM 0 HD2 TYR A 38 27.814 31.308 25.728 1.00 0.00 H new ATOM 0 HE1 TYR A 38 23.618 33.823 25.280 1.00 0.00 H new ATOM 0 HE2 TYR A 38 27.366 33.219 27.197 1.00 0.00 H new ATOM 0 HH TYR A 38 25.843 34.727 27.923 1.00 0.00 H new ATOM 641 N GLN A 39 27.250 32.902 22.134 1.00 0.00 N ATOM 642 CA GLN A 39 27.199 34.326 22.259 1.00 0.00 C ATOM 643 C GLN A 39 26.867 35.065 21.009 1.00 0.00 C ATOM 644 O GLN A 39 26.327 36.169 21.035 1.00 0.00 O ATOM 645 CB GLN A 39 28.516 34.766 22.922 1.00 0.00 C ATOM 646 CG GLN A 39 28.383 35.852 23.991 1.00 0.00 C ATOM 647 CD GLN A 39 28.681 37.259 23.493 1.00 0.00 C ATOM 648 OE1 GLN A 39 29.786 37.773 23.655 1.00 0.00 O ATOM 649 NE2 GLN A 39 27.667 37.930 22.883 1.00 0.00 N ATOM 0 H GLN A 39 28.174 32.519 22.332 1.00 0.00 H new ATOM 0 HA GLN A 39 26.351 34.597 22.888 1.00 0.00 H new ATOM 0 HB2 GLN A 39 28.985 33.892 23.373 1.00 0.00 H new ATOM 0 HB3 GLN A 39 29.191 35.125 22.146 1.00 0.00 H new ATOM 0 HG2 GLN A 39 27.370 35.828 24.393 1.00 0.00 H new ATOM 0 HG3 GLN A 39 29.058 35.620 24.815 1.00 0.00 H new ATOM 0 HE21 GLN A 39 26.759 37.481 22.761 1.00 0.00 H new ATOM 0 HE22 GLN A 39 27.814 38.882 22.548 1.00 0.00 H new ATOM 898 N SER A 54 22.082 25.056 26.009 1.00 0.00 N ATOM 899 CA SER A 54 22.434 24.479 27.270 1.00 0.00 C ATOM 900 C SER A 54 23.715 25.050 27.775 1.00 0.00 C ATOM 901 O SER A 54 24.759 24.976 27.130 1.00 0.00 O ATOM 902 CB SER A 54 22.589 22.950 27.219 1.00 0.00 C ATOM 903 OG SER A 54 21.334 22.288 27.173 1.00 0.00 O ATOM 0 HA SER A 54 21.606 24.720 27.937 1.00 0.00 H new ATOM 0 HB2 SER A 54 23.176 22.674 26.343 1.00 0.00 H new ATOM 0 HB3 SER A 54 23.145 22.613 28.094 1.00 0.00 H new ATOM 0 HG SER A 54 21.476 21.319 27.140 1.00 0.00 H new ATOM 909 N GLU A 55 23.702 25.621 28.993 1.00 0.00 N ATOM 910 CA GLU A 55 24.825 26.163 29.692 1.00 0.00 C ATOM 911 C GLU A 55 25.782 25.072 30.036 1.00 0.00 C ATOM 912 O GLU A 55 27.003 25.208 29.984 1.00 0.00 O ATOM 913 CB GLU A 55 24.339 26.872 30.966 1.00 0.00 C ATOM 914 CG GLU A 55 23.408 28.048 30.663 1.00 0.00 C ATOM 915 CD GLU A 55 22.700 28.581 31.901 1.00 0.00 C ATOM 916 OE1 GLU A 55 23.278 29.444 32.615 1.00 0.00 O ATOM 917 OE2 GLU A 55 21.531 28.177 32.140 1.00 0.00 O ATOM 0 H GLU A 55 22.839 25.710 29.529 1.00 0.00 H new ATOM 0 HA GLU A 55 25.337 26.886 29.057 1.00 0.00 H new ATOM 0 HB2 GLU A 55 23.819 26.155 31.601 1.00 0.00 H new ATOM 0 HB3 GLU A 55 25.200 27.230 31.530 1.00 0.00 H new ATOM 0 HG2 GLU A 55 23.985 28.852 30.207 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.663 27.735 29.932 1.00 0.00 H new ATOM 924 N GLU A 56 25.222 23.875 30.289 1.00 0.00 N ATOM 925 CA GLU A 56 25.921 22.633 30.402 1.00 0.00 C ATOM 926 C GLU A 56 26.692 22.233 29.191 1.00 0.00 C ATOM 927 O GLU A 56 27.671 21.500 29.322 1.00 0.00 O ATOM 928 CB GLU A 56 24.896 21.540 30.746 1.00 0.00 C ATOM 929 CG GLU A 56 24.161 21.761 32.070 1.00 0.00 C ATOM 930 CD GLU A 56 24.967 21.335 33.288 1.00 0.00 C ATOM 931 OE1 GLU A 56 25.150 20.104 33.480 1.00 0.00 O ATOM 932 OE2 GLU A 56 25.364 22.202 34.111 1.00 0.00 O ATOM 0 H GLU A 56 24.216 23.769 30.423 1.00 0.00 H new ATOM 0 HA GLU A 56 26.669 22.763 31.184 1.00 0.00 H new ATOM 0 HB2 GLU A 56 24.162 21.480 29.942 1.00 0.00 H new ATOM 0 HB3 GLU A 56 25.407 20.578 30.784 1.00 0.00 H new ATOM 0 HG2 GLU A 56 23.906 22.817 32.164 1.00 0.00 H new ATOM 0 HG3 GLU A 56 23.223 21.207 32.053 1.00 0.00 H new ATOM 939 N GLU A 57 26.328 22.644 27.963 1.00 0.00 N ATOM 940 CA GLU A 57 26.984 22.170 26.783 1.00 0.00 C ATOM 941 C GLU A 57 28.227 22.957 26.548 1.00 0.00 C ATOM 942 O GLU A 57 29.265 22.448 26.127 1.00 0.00 O ATOM 943 CB GLU A 57 26.153 22.102 25.491 1.00 0.00 C ATOM 944 CG GLU A 57 26.357 23.234 24.482 1.00 0.00 C ATOM 945 CD GLU A 57 25.620 23.009 23.170 1.00 0.00 C ATOM 946 OE1 GLU A 57 24.362 22.918 23.143 1.00 0.00 O ATOM 947 OE2 GLU A 57 26.311 22.872 22.126 1.00 0.00 O ATOM 0 H GLU A 57 25.575 23.309 27.786 1.00 0.00 H new ATOM 0 HA GLU A 57 27.195 21.124 27.005 1.00 0.00 H new ATOM 0 HB2 GLU A 57 26.375 21.158 24.993 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.098 22.077 25.766 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.020 24.171 24.924 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.422 23.343 24.279 1.00 0.00 H new ATOM 954 N VAL A 58 28.145 24.272 26.815 1.00 0.00 N ATOM 955 CA VAL A 58 29.215 25.200 26.613 1.00 0.00 C ATOM 956 C VAL A 58 30.348 24.824 27.504 1.00 0.00 C ATOM 957 O VAL A 58 31.501 24.701 27.094 1.00 0.00 O ATOM 958 CB VAL A 58 28.689 26.603 26.673 1.00 0.00 C ATOM 959 CG1 VAL A 58 28.796 27.300 28.039 1.00 0.00 C ATOM 960 CG2 VAL A 58 29.453 27.475 25.661 1.00 0.00 C ATOM 0 H VAL A 58 27.300 24.707 27.186 1.00 0.00 H new ATOM 0 HA VAL A 58 29.648 25.156 25.614 1.00 0.00 H new ATOM 0 HB VAL A 58 27.626 26.505 26.452 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.386 28.308 27.966 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.235 26.733 28.782 1.00 0.00 H new ATOM 0 HG13 VAL A 58 29.843 27.355 28.339 1.00 0.00 H new ATOM 0 HG21 VAL A 58 29.074 28.496 25.701 1.00 0.00 H new ATOM 0 HG22 VAL A 58 30.515 27.472 25.907 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.312 27.075 24.657 1.00 0.00 H new ATOM 970 N PHE A 59 29.992 24.482 28.755 1.00 0.00 N ATOM 971 CA PHE A 59 30.789 23.817 29.738 1.00 0.00 C ATOM 972 C PHE A 59 31.374 22.528 29.275 1.00 0.00 C ATOM 973 O PHE A 59 32.592 22.356 29.300 1.00 0.00 O ATOM 974 CB PHE A 59 29.907 23.647 30.986 1.00 0.00 C ATOM 975 CG PHE A 59 30.620 23.220 32.222 1.00 0.00 C ATOM 976 CD1 PHE A 59 30.790 21.885 32.502 1.00 0.00 C ATOM 977 CD2 PHE A 59 31.028 24.154 33.147 1.00 0.00 C ATOM 978 CE1 PHE A 59 31.359 21.483 33.687 1.00 0.00 C ATOM 979 CE2 PHE A 59 31.589 23.763 34.340 1.00 0.00 C ATOM 980 CZ PHE A 59 31.751 22.424 34.610 1.00 0.00 C ATOM 0 H PHE A 59 29.059 24.692 29.109 1.00 0.00 H new ATOM 0 HA PHE A 59 31.667 24.424 29.960 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.405 24.593 31.186 1.00 0.00 H new ATOM 0 HB3 PHE A 59 29.131 22.915 30.764 1.00 0.00 H new ATOM 0 HD1 PHE A 59 30.473 21.144 31.783 1.00 0.00 H new ATOM 0 HD2 PHE A 59 30.906 25.206 32.933 1.00 0.00 H new ATOM 0 HE1 PHE A 59 31.498 20.432 33.892 1.00 0.00 H new ATOM 0 HE2 PHE A 59 31.901 24.504 35.062 1.00 0.00 H new ATOM 0 HZ PHE A 59 32.186 22.111 35.548 1.00 0.00 H new ATOM 990 N THR A 60 30.557 21.572 28.797 1.00 0.00 N ATOM 991 CA THR A 60 30.951 20.299 28.281 1.00 0.00 C ATOM 992 C THR A 60 32.021 20.340 27.245 1.00 0.00 C ATOM 993 O THR A 60 32.996 19.593 27.302 1.00 0.00 O ATOM 994 CB THR A 60 29.808 19.423 27.859 1.00 0.00 C ATOM 995 OG1 THR A 60 29.878 18.140 28.463 1.00 0.00 O ATOM 996 CG2 THR A 60 29.654 19.183 26.347 1.00 0.00 C ATOM 0 H THR A 60 29.546 21.701 28.770 1.00 0.00 H new ATOM 0 HA THR A 60 31.403 19.825 29.152 1.00 0.00 H new ATOM 0 HB THR A 60 28.946 20.000 28.194 1.00 0.00 H new ATOM 0 HG1 THR A 60 29.118 17.597 28.167 1.00 0.00 H new ATOM 0 HG21 THR A 60 28.795 18.536 26.167 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.503 20.136 25.841 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.555 18.706 25.961 1.00 0.00 H new ATOM 1004 N GLU A 61 31.914 21.241 26.251 1.00 0.00 N ATOM 1005 CA GLU A 61 32.857 21.253 25.177 1.00 0.00 C ATOM 1006 C GLU A 61 34.168 21.863 25.533 1.00 0.00 C ATOM 1007 O GLU A 61 35.179 21.478 24.947 1.00 0.00 O ATOM 1008 CB GLU A 61 32.256 21.765 23.857 1.00 0.00 C ATOM 1009 CG GLU A 61 31.078 20.890 23.422 1.00 0.00 C ATOM 1010 CD GLU A 61 30.777 20.897 21.931 1.00 0.00 C ATOM 1011 OE1 GLU A 61 31.508 21.539 21.130 1.00 0.00 O ATOM 1012 OE2 GLU A 61 29.773 20.235 21.557 1.00 0.00 O ATOM 0 H GLU A 61 31.185 21.952 26.191 1.00 0.00 H new ATOM 0 HA GLU A 61 33.099 20.207 24.989 1.00 0.00 H new ATOM 0 HB2 GLU A 61 31.924 22.796 23.979 1.00 0.00 H new ATOM 0 HB3 GLU A 61 33.021 21.766 23.080 1.00 0.00 H new ATOM 0 HG2 GLU A 61 31.276 19.864 23.731 1.00 0.00 H new ATOM 0 HG3 GLU A 61 30.187 21.218 23.957 1.00 0.00 H new ATOM 1019 N VAL A 62 34.237 22.753 26.540 1.00 0.00 N ATOM 1020 CA VAL A 62 35.435 23.314 27.079 1.00 0.00 C ATOM 1021 C VAL A 62 36.226 22.328 27.868 1.00 0.00 C ATOM 1022 O VAL A 62 37.452 22.375 27.949 1.00 0.00 O ATOM 1023 CB VAL A 62 35.096 24.494 27.942 1.00 0.00 C ATOM 1024 CG1 VAL A 62 36.295 25.008 28.757 1.00 0.00 C ATOM 1025 CG2 VAL A 62 34.597 25.597 26.995 1.00 0.00 C ATOM 0 H VAL A 62 33.400 23.102 27.007 1.00 0.00 H new ATOM 0 HA VAL A 62 36.053 23.625 26.237 1.00 0.00 H new ATOM 0 HB VAL A 62 34.343 24.200 28.673 1.00 0.00 H new ATOM 0 HG11 VAL A 62 35.986 25.862 29.360 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.658 24.214 29.410 1.00 0.00 H new ATOM 0 HG13 VAL A 62 37.092 25.313 28.079 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.335 26.483 27.574 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.383 25.848 26.283 1.00 0.00 H new ATOM 0 HG23 VAL A 62 33.718 25.243 26.456 1.00 0.00 H new ATOM 1035 N ALA A 63 35.545 21.319 28.441 1.00 0.00 N ATOM 1036 CA ALA A 63 36.124 20.320 29.284 1.00 0.00 C ATOM 1037 C ALA A 63 37.111 19.486 28.542 1.00 0.00 C ATOM 1038 O ALA A 63 38.127 19.049 29.078 1.00 0.00 O ATOM 1039 CB ALA A 63 35.047 19.366 29.829 1.00 0.00 C ATOM 0 H ALA A 63 34.541 21.194 28.309 1.00 0.00 H new ATOM 0 HA ALA A 63 36.615 20.854 30.098 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.514 18.616 30.467 1.00 0.00 H new ATOM 0 HB2 ALA A 63 34.319 19.933 30.409 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.544 18.872 28.998 1.00 0.00 H new ATOM 1045 N ASN A 64 36.852 19.297 27.234 1.00 0.00 N ATOM 1046 CA ASN A 64 37.720 18.549 26.380 1.00 0.00 C ATOM 1047 C ASN A 64 39.049 19.192 26.176 1.00 0.00 C ATOM 1048 O ASN A 64 40.060 18.513 26.004 1.00 0.00 O ATOM 1049 CB ASN A 64 37.184 18.381 24.949 1.00 0.00 C ATOM 1050 CG ASN A 64 35.760 17.844 24.934 1.00 0.00 C ATOM 1051 OD1 ASN A 64 35.388 16.831 25.526 1.00 0.00 O ATOM 1052 ND2 ASN A 64 34.938 18.586 24.146 1.00 0.00 N ATOM 0 H ASN A 64 36.027 19.670 26.764 1.00 0.00 H new ATOM 0 HA ASN A 64 37.792 17.598 26.909 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.215 19.342 24.435 1.00 0.00 H new ATOM 0 HB3 ASN A 64 37.833 17.703 24.396 1.00 0.00 H new ATOM 0 HD21 ASN A 64 33.963 18.311 24.024 1.00 0.00 H new ATOM 0 HD22 ASN A 64 35.296 19.418 23.677 1.00 0.00 H new ATOM 1059 N LEU A 65 39.084 20.537 26.167 1.00 0.00 N ATOM 1060 CA LEU A 65 40.228 21.338 25.865 1.00 0.00 C ATOM 1061 C LEU A 65 41.255 21.175 26.931 1.00 0.00 C ATOM 1062 O LEU A 65 42.463 21.124 26.703 1.00 0.00 O ATOM 1063 CB LEU A 65 39.920 22.845 25.836 1.00 0.00 C ATOM 1064 CG LEU A 65 39.085 23.369 24.654 1.00 0.00 C ATOM 1065 CD1 LEU A 65 39.851 23.513 23.328 1.00 0.00 C ATOM 1066 CD2 LEU A 65 37.782 22.583 24.433 1.00 0.00 C ATOM 0 H LEU A 65 38.261 21.099 26.385 1.00 0.00 H new ATOM 0 HA LEU A 65 40.564 21.004 24.884 1.00 0.00 H new ATOM 0 HB2 LEU A 65 39.398 23.101 26.758 1.00 0.00 H new ATOM 0 HB3 LEU A 65 40.867 23.384 25.846 1.00 0.00 H new ATOM 0 HG LEU A 65 38.827 24.380 24.971 1.00 0.00 H new ATOM 0 HD11 LEU A 65 39.177 23.888 22.558 1.00 0.00 H new ATOM 0 HD12 LEU A 65 40.677 24.212 23.459 1.00 0.00 H new ATOM 0 HD13 LEU A 65 40.242 22.541 23.026 1.00 0.00 H new ATOM 0 HD21 LEU A 65 37.242 23.005 23.585 1.00 0.00 H new ATOM 0 HD22 LEU A 65 38.017 21.538 24.230 1.00 0.00 H new ATOM 0 HD23 LEU A 65 37.162 22.648 25.327 1.00 0.00 H new ATOM 1078 N PHE A 66 40.746 21.136 28.175 1.00 0.00 N ATOM 1079 CA PHE A 66 41.465 21.319 29.397 1.00 0.00 C ATOM 1080 C PHE A 66 41.676 20.020 30.096 1.00 0.00 C ATOM 1081 O PHE A 66 42.251 19.979 31.182 1.00 0.00 O ATOM 1082 CB PHE A 66 40.684 22.209 30.379 1.00 0.00 C ATOM 1083 CG PHE A 66 40.352 23.599 29.958 1.00 0.00 C ATOM 1084 CD1 PHE A 66 40.777 24.198 28.796 1.00 0.00 C ATOM 1085 CD2 PHE A 66 39.559 24.329 30.812 1.00 0.00 C ATOM 1086 CE1 PHE A 66 40.379 25.470 28.459 1.00 0.00 C ATOM 1087 CE2 PHE A 66 39.188 25.619 30.513 1.00 0.00 C ATOM 1088 CZ PHE A 66 39.594 26.189 29.329 1.00 0.00 C ATOM 0 H PHE A 66 39.754 20.963 28.337 1.00 0.00 H new ATOM 0 HA PHE A 66 42.414 21.779 29.121 1.00 0.00 H new ATOM 0 HB2 PHE A 66 39.749 21.701 30.618 1.00 0.00 H new ATOM 0 HB3 PHE A 66 41.259 22.269 31.303 1.00 0.00 H new ATOM 0 HD1 PHE A 66 41.438 23.658 28.134 1.00 0.00 H new ATOM 0 HD2 PHE A 66 39.221 23.881 31.735 1.00 0.00 H new ATOM 0 HE1 PHE A 66 40.681 25.902 27.516 1.00 0.00 H new ATOM 0 HE2 PHE A 66 38.580 26.182 31.205 1.00 0.00 H new ATOM 0 HZ PHE A 66 39.297 27.198 29.084 1.00 0.00 H new ATOM 1098 N ARG A 67 41.179 18.921 29.501 1.00 0.00 N ATOM 1099 CA ARG A 67 40.929 17.640 30.086 1.00 0.00 C ATOM 1100 C ARG A 67 42.005 17.074 30.949 1.00 0.00 C ATOM 1101 O ARG A 67 43.156 16.894 30.556 1.00 0.00 O ATOM 1102 CB ARG A 67 40.541 16.691 28.940 1.00 0.00 C ATOM 1103 CG ARG A 67 39.735 15.451 29.329 1.00 0.00 C ATOM 1104 CD ARG A 67 40.462 14.112 29.199 1.00 0.00 C ATOM 1105 NE ARG A 67 40.796 13.914 27.760 1.00 0.00 N ATOM 1106 CZ ARG A 67 40.041 13.238 26.846 1.00 0.00 C ATOM 1107 NH1 ARG A 67 38.880 12.594 27.165 1.00 0.00 N ATOM 1108 NH2 ARG A 67 40.482 13.217 25.555 1.00 0.00 N ATOM 0 H ARG A 67 40.928 18.933 28.512 1.00 0.00 H new ATOM 0 HA ARG A 67 40.122 17.767 30.807 1.00 0.00 H new ATOM 0 HB2 ARG A 67 39.965 17.257 28.208 1.00 0.00 H new ATOM 0 HB3 ARG A 67 41.454 16.363 28.443 1.00 0.00 H new ATOM 0 HG2 ARG A 67 39.406 15.565 30.362 1.00 0.00 H new ATOM 0 HG3 ARG A 67 38.838 15.416 28.711 1.00 0.00 H new ATOM 0 HD2 ARG A 67 41.368 14.108 29.806 1.00 0.00 H new ATOM 0 HD3 ARG A 67 39.833 13.299 29.561 1.00 0.00 H new ATOM 0 HE ARG A 67 41.670 14.322 27.428 1.00 0.00 H new ATOM 0 HH11 ARG A 67 38.539 12.604 28.126 1.00 0.00 H new ATOM 0 HH12 ARG A 67 38.354 12.103 26.442 1.00 0.00 H new ATOM 0 HH21 ARG A 67 41.347 13.696 25.304 1.00 0.00 H new ATOM 0 HH22 ARG A 67 39.947 12.723 24.841 1.00 0.00 H new ATOM 1122 N GLY A 68 41.638 16.833 32.222 1.00 0.00 N ATOM 1123 CA GLY A 68 42.550 16.617 33.302 1.00 0.00 C ATOM 1124 C GLY A 68 42.423 17.687 34.330 1.00 0.00 C ATOM 1125 O GLY A 68 42.410 17.399 35.527 1.00 0.00 O ATOM 0 H GLY A 68 40.661 16.787 32.510 1.00 0.00 H new ATOM 0 HA2 GLY A 68 42.357 15.646 33.757 1.00 0.00 H new ATOM 0 HA3 GLY A 68 43.571 16.593 32.921 1.00 0.00 H new ATOM 1129 N GLN A 69 42.333 18.962 33.915 1.00 0.00 N ATOM 1130 CA GLN A 69 42.269 20.079 34.807 1.00 0.00 C ATOM 1131 C GLN A 69 40.886 20.407 35.254 1.00 0.00 C ATOM 1132 O GLN A 69 40.162 21.184 34.636 1.00 0.00 O ATOM 1133 CB GLN A 69 42.887 21.356 34.210 1.00 0.00 C ATOM 1134 CG GLN A 69 44.341 21.201 33.759 1.00 0.00 C ATOM 1135 CD GLN A 69 44.943 22.540 33.358 1.00 0.00 C ATOM 1136 OE1 GLN A 69 45.736 23.127 34.093 1.00 0.00 O ATOM 1137 NE2 GLN A 69 44.560 23.057 32.160 1.00 0.00 N ATOM 0 H GLN A 69 42.304 19.225 32.930 1.00 0.00 H new ATOM 0 HA GLN A 69 42.852 19.753 35.668 1.00 0.00 H new ATOM 0 HB2 GLN A 69 42.286 21.672 33.357 1.00 0.00 H new ATOM 0 HB3 GLN A 69 42.832 22.153 34.951 1.00 0.00 H new ATOM 0 HG2 GLN A 69 44.929 20.763 34.565 1.00 0.00 H new ATOM 0 HG3 GLN A 69 44.391 20.511 32.917 1.00 0.00 H new ATOM 0 HE21 GLN A 69 43.901 22.547 31.572 1.00 0.00 H new ATOM 0 HE22 GLN A 69 44.932 23.955 31.850 1.00 0.00 H new ATOM 1146 N GLU A 70 40.482 19.847 36.409 1.00 0.00 N ATOM 1147 CA GLU A 70 39.205 20.050 37.021 1.00 0.00 C ATOM 1148 C GLU A 70 39.094 21.366 37.711 1.00 0.00 C ATOM 1149 O GLU A 70 38.021 21.967 37.754 1.00 0.00 O ATOM 1150 CB GLU A 70 38.900 18.917 38.014 1.00 0.00 C ATOM 1151 CG GLU A 70 38.438 17.637 37.313 1.00 0.00 C ATOM 1152 CD GLU A 70 36.927 17.587 37.136 1.00 0.00 C ATOM 1153 OE1 GLU A 70 36.313 18.539 36.587 1.00 0.00 O ATOM 1154 OE2 GLU A 70 36.329 16.564 37.565 1.00 0.00 O ATOM 0 H GLU A 70 41.080 19.218 36.945 1.00 0.00 H new ATOM 0 HA GLU A 70 38.472 20.045 36.215 1.00 0.00 H new ATOM 0 HB2 GLU A 70 39.792 18.704 38.603 1.00 0.00 H new ATOM 0 HB3 GLU A 70 38.129 19.246 38.711 1.00 0.00 H new ATOM 0 HG2 GLU A 70 38.918 17.567 36.337 1.00 0.00 H new ATOM 0 HG3 GLU A 70 38.762 16.772 37.891 1.00 0.00 H new ATOM 1161 N ASP A 71 40.212 21.897 38.235 1.00 0.00 N ATOM 1162 CA ASP A 71 40.329 23.122 38.964 1.00 0.00 C ATOM 1163 C ASP A 71 39.773 24.283 38.214 1.00 0.00 C ATOM 1164 O ASP A 71 39.069 25.137 38.750 1.00 0.00 O ATOM 1165 CB ASP A 71 41.804 23.393 39.306 1.00 0.00 C ATOM 1166 CG ASP A 71 42.417 22.312 40.184 1.00 0.00 C ATOM 1167 OD1 ASP A 71 42.447 21.123 39.769 1.00 0.00 O ATOM 1168 OD2 ASP A 71 42.923 22.646 41.289 1.00 0.00 O ATOM 0 H ASP A 71 41.112 21.427 38.140 1.00 0.00 H new ATOM 0 HA ASP A 71 39.746 23.008 39.878 1.00 0.00 H new ATOM 0 HB2 ASP A 71 42.377 23.472 38.382 1.00 0.00 H new ATOM 0 HB3 ASP A 71 41.883 24.354 39.814 1.00 0.00 H new ATOM 1173 N LEU A 72 40.022 24.320 36.893 1.00 0.00 N ATOM 1174 CA LEU A 72 39.490 25.310 36.009 1.00 0.00 C ATOM 1175 C LEU A 72 38.008 25.281 35.860 1.00 0.00 C ATOM 1176 O LEU A 72 37.363 26.326 35.914 1.00 0.00 O ATOM 1177 CB LEU A 72 40.164 25.206 34.631 1.00 0.00 C ATOM 1178 CG LEU A 72 41.696 25.327 34.655 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.216 25.297 33.208 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.210 26.604 35.341 1.00 0.00 C ATOM 0 H LEU A 72 40.615 23.636 36.423 1.00 0.00 H new ATOM 0 HA LEU A 72 39.717 26.269 36.474 1.00 0.00 H new ATOM 0 HB2 LEU A 72 39.896 24.250 34.182 1.00 0.00 H new ATOM 0 HB3 LEU A 72 39.762 25.986 33.985 1.00 0.00 H new ATOM 0 HG LEU A 72 42.068 24.487 35.241 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.303 25.382 33.210 1.00 0.00 H new ATOM 0 HD12 LEU A 72 41.926 24.358 32.737 1.00 0.00 H new ATOM 0 HD13 LEU A 72 41.788 26.130 32.650 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.300 26.616 35.318 1.00 0.00 H new ATOM 0 HD22 LEU A 72 41.826 27.479 34.816 1.00 0.00 H new ATOM 0 HD23 LEU A 72 41.869 26.623 36.376 1.00 0.00 H new ATOM 1192 N LEU A 73 37.362 24.113 35.682 1.00 0.00 N ATOM 1193 CA LEU A 73 35.947 24.006 35.511 1.00 0.00 C ATOM 1194 C LEU A 73 35.203 24.277 36.774 1.00 0.00 C ATOM 1195 O LEU A 73 34.051 24.708 36.788 1.00 0.00 O ATOM 1196 CB LEU A 73 35.514 22.616 35.017 1.00 0.00 C ATOM 1197 CG LEU A 73 35.774 22.315 33.532 1.00 0.00 C ATOM 1198 CD1 LEU A 73 35.106 23.327 32.584 1.00 0.00 C ATOM 1199 CD2 LEU A 73 37.275 22.165 33.236 1.00 0.00 C ATOM 0 H LEU A 73 37.842 23.213 35.656 1.00 0.00 H new ATOM 0 HA LEU A 73 35.704 24.758 34.761 1.00 0.00 H new ATOM 0 HB2 LEU A 73 36.029 21.864 35.615 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.447 22.501 35.209 1.00 0.00 H new ATOM 0 HG LEU A 73 35.299 21.354 33.332 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.328 23.059 31.551 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.027 23.313 32.739 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.490 24.326 32.790 1.00 0.00 H new ATOM 0 HD21 LEU A 73 37.417 21.953 32.176 1.00 0.00 H new ATOM 0 HD22 LEU A 73 37.791 23.090 33.493 1.00 0.00 H new ATOM 0 HD23 LEU A 73 37.682 21.346 33.828 1.00 0.00 H new ATOM 1211 N SER A 74 35.890 24.070 37.910 1.00 0.00 N ATOM 1212 CA SER A 74 35.403 24.282 39.239 1.00 0.00 C ATOM 1213 C SER A 74 35.128 25.721 39.515 1.00 0.00 C ATOM 1214 O SER A 74 34.021 26.115 39.879 1.00 0.00 O ATOM 1215 CB SER A 74 36.386 23.698 40.267 1.00 0.00 C ATOM 1216 OG SER A 74 35.828 23.613 41.570 1.00 0.00 O ATOM 0 H SER A 74 36.852 23.731 37.900 1.00 0.00 H new ATOM 0 HA SER A 74 34.451 23.759 39.329 1.00 0.00 H new ATOM 0 HB2 SER A 74 36.697 22.705 39.943 1.00 0.00 H new ATOM 0 HB3 SER A 74 37.282 24.317 40.299 1.00 0.00 H new ATOM 0 HG SER A 74 36.490 23.235 42.185 1.00 0.00 H new ATOM 1222 N GLU A 75 36.117 26.599 39.271 1.00 0.00 N ATOM 1223 CA GLU A 75 35.958 28.017 39.355 1.00 0.00 C ATOM 1224 C GLU A 75 35.153 28.606 38.249 1.00 0.00 C ATOM 1225 O GLU A 75 34.582 29.686 38.397 1.00 0.00 O ATOM 1226 CB GLU A 75 37.315 28.738 39.435 1.00 0.00 C ATOM 1227 CG GLU A 75 38.037 28.512 40.765 1.00 0.00 C ATOM 1228 CD GLU A 75 39.325 29.316 40.885 1.00 0.00 C ATOM 1229 OE1 GLU A 75 39.726 30.017 39.917 1.00 0.00 O ATOM 1230 OE2 GLU A 75 39.977 29.229 41.959 1.00 0.00 O ATOM 0 H GLU A 75 37.059 26.312 39.006 1.00 0.00 H new ATOM 0 HA GLU A 75 35.400 28.175 40.278 1.00 0.00 H new ATOM 0 HB2 GLU A 75 37.951 28.394 38.620 1.00 0.00 H new ATOM 0 HB3 GLU A 75 37.161 29.807 39.289 1.00 0.00 H new ATOM 0 HG2 GLU A 75 37.370 28.780 41.585 1.00 0.00 H new ATOM 0 HG3 GLU A 75 38.265 27.452 40.873 1.00 0.00 H new ATOM 1237 N PHE A 76 35.003 27.888 37.122 1.00 0.00 N ATOM 1238 CA PHE A 76 34.167 28.273 36.027 1.00 0.00 C ATOM 1239 C PHE A 76 32.716 28.255 36.366 1.00 0.00 C ATOM 1240 O PHE A 76 31.900 28.948 35.762 1.00 0.00 O ATOM 1241 CB PHE A 76 34.457 27.328 34.850 1.00 0.00 C ATOM 1242 CG PHE A 76 33.994 27.785 33.509 1.00 0.00 C ATOM 1243 CD1 PHE A 76 34.262 29.043 33.022 1.00 0.00 C ATOM 1244 CD2 PHE A 76 33.360 26.872 32.700 1.00 0.00 C ATOM 1245 CE1 PHE A 76 33.903 29.387 31.741 1.00 0.00 C ATOM 1246 CE2 PHE A 76 32.989 27.211 31.420 1.00 0.00 C ATOM 1247 CZ PHE A 76 33.278 28.465 30.935 1.00 0.00 C ATOM 0 H PHE A 76 35.484 27.002 36.967 1.00 0.00 H new ATOM 0 HA PHE A 76 34.398 29.306 35.765 1.00 0.00 H new ATOM 0 HB2 PHE A 76 35.533 27.161 34.802 1.00 0.00 H new ATOM 0 HB3 PHE A 76 33.994 26.364 35.062 1.00 0.00 H new ATOM 0 HD1 PHE A 76 34.759 29.766 33.652 1.00 0.00 H new ATOM 0 HD2 PHE A 76 33.152 25.880 33.073 1.00 0.00 H new ATOM 0 HE1 PHE A 76 34.111 30.379 31.368 1.00 0.00 H new ATOM 0 HE2 PHE A 76 32.473 26.495 30.798 1.00 0.00 H new ATOM 0 HZ PHE A 76 33.014 28.726 29.921 1.00 0.00 H new ATOM 1257 N GLY A 77 32.338 27.517 37.426 1.00 0.00 N ATOM 1258 CA GLY A 77 31.030 27.484 38.001 1.00 0.00 C ATOM 1259 C GLY A 77 30.525 28.801 38.483 1.00 0.00 C ATOM 1260 O GLY A 77 29.321 28.996 38.644 1.00 0.00 O ATOM 0 H GLY A 77 32.991 26.903 37.912 1.00 0.00 H new ATOM 0 HA2 GLY A 77 30.333 27.092 37.260 1.00 0.00 H new ATOM 0 HA3 GLY A 77 31.033 26.784 38.837 1.00 0.00 H new ATOM 1264 N GLN A 78 31.412 29.779 38.736 1.00 0.00 N ATOM 1265 CA GLN A 78 31.029 31.119 39.056 1.00 0.00 C ATOM 1266 C GLN A 78 30.382 31.882 37.950 1.00 0.00 C ATOM 1267 O GLN A 78 29.676 32.856 38.201 1.00 0.00 O ATOM 1268 CB GLN A 78 32.256 31.918 39.525 1.00 0.00 C ATOM 1269 CG GLN A 78 32.842 31.308 40.800 1.00 0.00 C ATOM 1270 CD GLN A 78 34.104 32.044 41.227 1.00 0.00 C ATOM 1271 OE1 GLN A 78 34.114 32.873 42.136 1.00 0.00 O ATOM 1272 NE2 GLN A 78 35.226 31.737 40.523 1.00 0.00 N ATOM 0 H GLN A 78 32.422 29.635 38.718 1.00 0.00 H new ATOM 0 HA GLN A 78 30.279 31.007 39.839 1.00 0.00 H new ATOM 0 HB2 GLN A 78 33.012 31.928 38.740 1.00 0.00 H new ATOM 0 HB3 GLN A 78 31.973 32.955 39.708 1.00 0.00 H new ATOM 0 HG2 GLN A 78 32.103 31.351 41.600 1.00 0.00 H new ATOM 0 HG3 GLN A 78 33.070 30.255 40.632 1.00 0.00 H new ATOM 0 HE21 GLN A 78 35.185 31.045 39.775 1.00 0.00 H new ATOM 0 HE22 GLN A 78 36.108 32.199 40.743 1.00 0.00 H new ATOM 1466 N ASN B 201 28.856 35.920 33.616 1.00 0.00 N ATOM 1467 CA ASN B 201 28.333 34.932 32.725 1.00 0.00 C ATOM 1468 C ASN B 201 29.397 34.578 31.744 1.00 0.00 C ATOM 1469 O ASN B 201 30.446 35.217 31.676 1.00 0.00 O ATOM 1470 CB ASN B 201 27.090 35.425 31.966 1.00 0.00 C ATOM 1471 CG ASN B 201 25.943 35.781 32.903 1.00 0.00 C ATOM 1472 OD1 ASN B 201 25.430 36.898 32.856 1.00 0.00 O ATOM 1473 ND2 ASN B 201 25.485 34.809 33.736 1.00 0.00 N ATOM 0 HA ASN B 201 28.030 34.067 33.316 1.00 0.00 H new ATOM 0 HB2 ASN B 201 27.354 36.299 31.370 1.00 0.00 H new ATOM 0 HB3 ASN B 201 26.762 34.652 31.271 1.00 0.00 H new ATOM 0 HD21 ASN B 201 24.691 34.995 34.349 1.00 0.00 H new ATOM 0 HD22 ASN B 201 25.935 33.894 33.748 1.00 0.00 H new ATOM 1480 N ILE B 202 29.135 33.555 30.911 1.00 0.00 N ATOM 1481 CA ILE B 202 29.922 33.104 29.805 1.00 0.00 C ATOM 1482 C ILE B 202 30.217 34.191 28.831 1.00 0.00 C ATOM 1483 O ILE B 202 31.299 34.269 28.249 1.00 0.00 O ATOM 1484 CB ILE B 202 29.214 31.948 29.161 1.00 0.00 C ATOM 1485 CG1 ILE B 202 29.240 30.694 30.051 1.00 0.00 C ATOM 1486 CG2 ILE B 202 29.691 31.628 27.734 1.00 0.00 C ATOM 1487 CD1 ILE B 202 30.591 29.992 30.188 1.00 0.00 C ATOM 0 H ILE B 202 28.292 32.992 31.024 1.00 0.00 H new ATOM 0 HA ILE B 202 30.896 32.779 30.171 1.00 0.00 H new ATOM 0 HB ILE B 202 28.180 32.276 29.057 1.00 0.00 H new ATOM 0 HG12 ILE B 202 28.897 30.974 31.047 1.00 0.00 H new ATOM 0 HG13 ILE B 202 28.520 29.978 29.655 1.00 0.00 H new ATOM 0 HG21 ILE B 202 29.128 30.780 27.344 1.00 0.00 H new ATOM 0 HG22 ILE B 202 29.531 32.496 27.094 1.00 0.00 H new ATOM 0 HG23 ILE B 202 30.752 31.381 27.752 1.00 0.00 H new ATOM 0 HD11 ILE B 202 30.485 29.123 30.838 1.00 0.00 H new ATOM 0 HD12 ILE B 202 30.935 29.670 29.205 1.00 0.00 H new ATOM 0 HD13 ILE B 202 31.317 30.681 30.619 1.00 0.00 H new ATOM 1499 N GLN B 203 29.263 35.124 28.668 1.00 0.00 N ATOM 1500 CA GLN B 203 29.334 36.331 27.904 1.00 0.00 C ATOM 1501 C GLN B 203 30.530 37.186 28.149 1.00 0.00 C ATOM 1502 O GLN B 203 31.158 37.681 27.215 1.00 0.00 O ATOM 1503 CB GLN B 203 28.020 37.090 28.156 1.00 0.00 C ATOM 1504 CG GLN B 203 27.840 38.402 27.390 1.00 0.00 C ATOM 1505 CD GLN B 203 26.476 39.029 27.646 1.00 0.00 C ATOM 1506 OE1 GLN B 203 25.494 38.378 27.996 1.00 0.00 O ATOM 1507 NE2 GLN B 203 26.389 40.368 27.428 1.00 0.00 N ATOM 0 H GLN B 203 28.353 35.021 29.116 1.00 0.00 H new ATOM 0 HA GLN B 203 29.457 36.060 26.856 1.00 0.00 H new ATOM 0 HB2 GLN B 203 27.190 36.430 27.905 1.00 0.00 H new ATOM 0 HB3 GLN B 203 27.947 37.303 29.222 1.00 0.00 H new ATOM 0 HG2 GLN B 203 28.622 39.103 27.682 1.00 0.00 H new ATOM 0 HG3 GLN B 203 27.960 38.218 26.322 1.00 0.00 H new ATOM 0 HE21 GLN B 203 27.215 40.892 27.138 1.00 0.00 H new ATOM 0 HE22 GLN B 203 25.498 40.848 27.555 1.00 0.00 H new ATOM 1516 N MET B 204 30.925 37.391 29.419 1.00 0.00 N ATOM 1517 CA MET B 204 31.995 38.250 29.823 1.00 0.00 C ATOM 1518 C MET B 204 33.368 37.767 29.502 1.00 0.00 C ATOM 1519 O MET B 204 34.283 38.561 29.295 1.00 0.00 O ATOM 1520 CB MET B 204 31.844 38.549 31.324 1.00 0.00 C ATOM 1521 CG MET B 204 32.387 39.934 31.680 1.00 0.00 C ATOM 1522 SD MET B 204 31.707 40.682 33.191 1.00 0.00 S ATOM 1523 CE MET B 204 32.313 39.468 34.397 1.00 0.00 C ATOM 0 H MET B 204 30.471 36.931 30.208 1.00 0.00 H new ATOM 0 HA MET B 204 31.902 39.159 29.228 1.00 0.00 H new ATOM 0 HB2 MET B 204 30.792 38.487 31.604 1.00 0.00 H new ATOM 0 HB3 MET B 204 32.373 37.791 31.902 1.00 0.00 H new ATOM 0 HG2 MET B 204 33.469 39.863 31.787 1.00 0.00 H new ATOM 0 HG3 MET B 204 32.192 40.606 30.844 1.00 0.00 H new ATOM 0 HE1 MET B 204 31.919 39.708 35.385 1.00 0.00 H new ATOM 0 HE2 MET B 204 31.982 38.471 34.107 1.00 0.00 H new ATOM 0 HE3 MET B 204 33.402 39.495 34.424 1.00 0.00 H new ATOM 1533 N LEU B 205 33.590 36.445 29.389 1.00 0.00 N ATOM 1534 CA LEU B 205 34.819 35.857 28.952 1.00 0.00 C ATOM 1535 C LEU B 205 35.336 36.320 27.634 1.00 0.00 C ATOM 1536 O LEU B 205 36.543 36.411 27.412 1.00 0.00 O ATOM 1537 CB LEU B 205 34.764 34.320 28.946 1.00 0.00 C ATOM 1538 CG LEU B 205 35.211 33.705 30.283 1.00 0.00 C ATOM 1539 CD1 LEU B 205 34.145 33.773 31.388 1.00 0.00 C ATOM 1540 CD2 LEU B 205 35.747 32.279 30.068 1.00 0.00 C ATOM 0 H LEU B 205 32.877 35.752 29.614 1.00 0.00 H new ATOM 0 HA LEU B 205 35.524 36.214 29.703 1.00 0.00 H new ATOM 0 HB2 LEU B 205 33.747 33.998 28.725 1.00 0.00 H new ATOM 0 HB3 LEU B 205 35.400 33.941 28.146 1.00 0.00 H new ATOM 0 HG LEU B 205 36.027 34.325 30.655 1.00 0.00 H new ATOM 0 HD11 LEU B 205 34.536 33.319 32.299 1.00 0.00 H new ATOM 0 HD12 LEU B 205 33.888 34.814 31.582 1.00 0.00 H new ATOM 0 HD13 LEU B 205 33.254 33.234 31.067 1.00 0.00 H new ATOM 0 HD21 LEU B 205 36.059 31.859 31.024 1.00 0.00 H new ATOM 0 HD22 LEU B 205 34.963 31.657 29.637 1.00 0.00 H new ATOM 0 HD23 LEU B 205 36.600 32.309 29.390 1.00 0.00 H new ATOM 1552 N LEU B 206 34.418 36.675 26.718 1.00 0.00 N ATOM 1553 CA LEU B 206 34.759 36.963 25.359 1.00 0.00 C ATOM 1554 C LEU B 206 35.256 38.365 25.265 1.00 0.00 C ATOM 1555 O LEU B 206 35.963 38.736 24.329 1.00 0.00 O ATOM 1556 CB LEU B 206 33.580 36.540 24.466 1.00 0.00 C ATOM 1557 CG LEU B 206 33.087 35.131 24.836 1.00 0.00 C ATOM 1558 CD1 LEU B 206 32.032 34.584 23.860 1.00 0.00 C ATOM 1559 CD2 LEU B 206 34.245 34.136 25.021 1.00 0.00 C ATOM 0 H LEU B 206 33.423 36.764 26.924 1.00 0.00 H new ATOM 0 HA LEU B 206 35.598 36.383 24.976 1.00 0.00 H new ATOM 0 HB2 LEU B 206 32.764 37.254 24.572 1.00 0.00 H new ATOM 0 HB3 LEU B 206 33.886 36.559 23.420 1.00 0.00 H new ATOM 0 HG LEU B 206 32.592 35.242 25.801 1.00 0.00 H new ATOM 0 HD11 LEU B 206 31.726 33.587 24.177 1.00 0.00 H new ATOM 0 HD12 LEU B 206 31.165 35.245 23.853 1.00 0.00 H new ATOM 0 HD13 LEU B 206 32.456 34.532 22.857 1.00 0.00 H new ATOM 0 HD21 LEU B 206 33.845 33.156 25.281 1.00 0.00 H new ATOM 0 HD22 LEU B 206 34.812 34.061 24.093 1.00 0.00 H new ATOM 0 HD23 LEU B 206 34.900 34.484 25.820 1.00 0.00 H new ATOM 1571 N GLU B 207 34.954 39.168 26.300 1.00 0.00 N ATOM 1572 CA GLU B 207 35.513 40.465 26.523 1.00 0.00 C ATOM 1573 C GLU B 207 36.837 40.355 27.198 1.00 0.00 C ATOM 1574 O GLU B 207 37.834 40.904 26.732 1.00 0.00 O ATOM 1575 CB GLU B 207 34.572 41.383 27.319 1.00 0.00 C ATOM 1576 CG GLU B 207 33.115 41.365 26.852 1.00 0.00 C ATOM 1577 CD GLU B 207 32.935 41.644 25.367 1.00 0.00 C ATOM 1578 OE1 GLU B 207 33.048 42.820 24.929 1.00 0.00 O ATOM 1579 OE2 GLU B 207 32.610 40.693 24.607 1.00 0.00 O ATOM 0 H GLU B 207 34.284 38.898 27.020 1.00 0.00 H new ATOM 0 HA GLU B 207 35.651 40.925 25.545 1.00 0.00 H new ATOM 0 HB2 GLU B 207 34.606 41.093 28.369 1.00 0.00 H new ATOM 0 HB3 GLU B 207 34.946 42.405 27.258 1.00 0.00 H new ATOM 0 HG2 GLU B 207 32.683 40.391 27.083 1.00 0.00 H new ATOM 0 HG3 GLU B 207 32.553 42.106 27.421 1.00 0.00 H new ATOM 1586 N ALA B 208 36.910 39.608 28.314 1.00 0.00 N ATOM 1587 CA ALA B 208 38.088 39.384 29.094 1.00 0.00 C ATOM 1588 C ALA B 208 39.248 38.833 28.338 1.00 0.00 C ATOM 1589 O ALA B 208 40.370 39.319 28.465 1.00 0.00 O ATOM 1590 CB ALA B 208 37.769 38.481 30.298 1.00 0.00 C ATOM 0 H ALA B 208 36.094 39.130 28.696 1.00 0.00 H new ATOM 0 HA ALA B 208 38.400 40.374 29.428 1.00 0.00 H new ATOM 0 HB1 ALA B 208 38.675 38.320 30.882 1.00 0.00 H new ATOM 0 HB2 ALA B 208 37.015 38.960 30.923 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.390 37.522 29.944 1.00 0.00 H new ATOM 1596 N ALA B 209 39.027 37.825 27.475 1.00 0.00 N ATOM 1597 CA ALA B 209 40.002 37.288 26.578 1.00 0.00 C ATOM 1598 C ALA B 209 40.586 38.260 25.612 1.00 0.00 C ATOM 1599 O ALA B 209 41.787 38.233 25.350 1.00 0.00 O ATOM 1600 CB ALA B 209 39.373 36.116 25.804 1.00 0.00 C ATOM 0 H ALA B 209 38.122 37.361 27.400 1.00 0.00 H new ATOM 0 HA ALA B 209 40.836 36.970 27.203 1.00 0.00 H new ATOM 0 HB1 ALA B 209 40.108 35.698 25.116 1.00 0.00 H new ATOM 0 HB2 ALA B 209 39.054 35.346 26.506 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.511 36.473 25.241 1.00 0.00 H new ATOM 1606 N ASP B 210 39.765 39.185 25.082 1.00 0.00 N ATOM 1607 CA ASP B 210 40.142 40.160 24.106 1.00 0.00 C ATOM 1608 C ASP B 210 40.833 41.327 24.724 1.00 0.00 C ATOM 1609 O ASP B 210 41.733 41.929 24.141 1.00 0.00 O ATOM 1610 CB ASP B 210 38.877 40.569 23.332 1.00 0.00 C ATOM 1611 CG ASP B 210 39.188 40.945 21.891 1.00 0.00 C ATOM 1612 OD1 ASP B 210 39.728 40.090 21.139 1.00 0.00 O ATOM 1613 OD2 ASP B 210 38.859 42.091 21.482 1.00 0.00 O ATOM 0 H ASP B 210 38.783 39.256 25.350 1.00 0.00 H new ATOM 0 HA ASP B 210 40.867 39.732 23.414 1.00 0.00 H new ATOM 0 HB2 ASP B 210 38.162 39.747 23.346 1.00 0.00 H new ATOM 0 HB3 ASP B 210 38.402 41.413 23.833 1.00 0.00 H new ATOM 1618 N TYR B 211 40.479 41.667 25.976 1.00 0.00 N ATOM 1619 CA TYR B 211 41.158 42.579 26.844 1.00 0.00 C ATOM 1620 C TYR B 211 42.541 42.121 27.160 1.00 0.00 C ATOM 1621 O TYR B 211 43.493 42.898 27.120 1.00 0.00 O ATOM 1622 CB TYR B 211 40.274 42.774 28.088 1.00 0.00 C ATOM 1623 CG TYR B 211 40.936 43.302 29.313 1.00 0.00 C ATOM 1624 CD1 TYR B 211 41.501 42.411 30.194 1.00 0.00 C ATOM 1625 CD2 TYR B 211 40.989 44.648 29.594 1.00 0.00 C ATOM 1626 CE1 TYR B 211 42.139 42.855 31.329 1.00 0.00 C ATOM 1627 CE2 TYR B 211 41.608 45.097 30.735 1.00 0.00 C ATOM 1628 CZ TYR B 211 42.197 44.203 31.597 1.00 0.00 C ATOM 1629 OH TYR B 211 42.862 44.638 32.762 1.00 0.00 O ATOM 0 H TYR B 211 39.649 41.270 26.416 1.00 0.00 H new ATOM 0 HA TYR B 211 41.301 43.543 26.356 1.00 0.00 H new ATOM 0 HB2 TYR B 211 39.462 43.451 27.823 1.00 0.00 H new ATOM 0 HB3 TYR B 211 39.821 41.814 28.335 1.00 0.00 H new ATOM 0 HD1 TYR B 211 41.443 41.351 29.993 1.00 0.00 H new ATOM 0 HD2 TYR B 211 40.541 45.356 28.913 1.00 0.00 H new ATOM 0 HE1 TYR B 211 42.593 42.148 32.007 1.00 0.00 H new ATOM 0 HE2 TYR B 211 41.632 46.154 30.955 1.00 0.00 H new ATOM 0 HH TYR B 211 42.821 45.616 32.816 1.00 0.00 H new ATOM 1639 N LEU B 212 42.715 40.827 27.480 1.00 0.00 N ATOM 1640 CA LEU B 212 43.968 40.240 27.841 1.00 0.00 C ATOM 1641 C LEU B 212 44.969 40.191 26.739 1.00 0.00 C ATOM 1642 O LEU B 212 46.168 40.346 26.967 1.00 0.00 O ATOM 1643 CB LEU B 212 43.739 38.860 28.482 1.00 0.00 C ATOM 1644 CG LEU B 212 44.081 38.844 29.981 1.00 0.00 C ATOM 1645 CD1 LEU B 212 43.422 37.638 30.671 1.00 0.00 C ATOM 1646 CD2 LEU B 212 45.596 38.854 30.242 1.00 0.00 C ATOM 0 H LEU B 212 41.945 40.158 27.487 1.00 0.00 H new ATOM 0 HA LEU B 212 44.420 40.904 28.578 1.00 0.00 H new ATOM 0 HB2 LEU B 212 42.697 38.568 28.347 1.00 0.00 H new ATOM 0 HB3 LEU B 212 44.347 38.117 27.966 1.00 0.00 H new ATOM 0 HG LEU B 212 43.680 39.763 30.408 1.00 0.00 H new ATOM 0 HD11 LEU B 212 43.675 37.643 31.731 1.00 0.00 H new ATOM 0 HD12 LEU B 212 42.340 37.699 30.556 1.00 0.00 H new ATOM 0 HD13 LEU B 212 43.784 36.716 30.216 1.00 0.00 H new ATOM 0 HD21 LEU B 212 45.780 38.842 31.316 1.00 0.00 H new ATOM 0 HD22 LEU B 212 46.050 37.974 29.786 1.00 0.00 H new ATOM 0 HD23 LEU B 212 46.034 39.753 29.809 1.00 0.00 H new ATOM 1658 N GLU B 213 44.512 40.067 25.481 1.00 0.00 N ATOM 1659 CA GLU B 213 45.290 40.246 24.294 1.00 0.00 C ATOM 1660 C GLU B 213 45.993 41.558 24.230 1.00 0.00 C ATOM 1661 O GLU B 213 47.163 41.639 23.859 1.00 0.00 O ATOM 1662 CB GLU B 213 44.417 40.112 23.035 1.00 0.00 C ATOM 1663 CG GLU B 213 44.075 38.671 22.651 1.00 0.00 C ATOM 1664 CD GLU B 213 45.102 38.092 21.688 1.00 0.00 C ATOM 1665 OE1 GLU B 213 46.285 37.915 22.082 1.00 0.00 O ATOM 1666 OE2 GLU B 213 44.728 37.827 20.514 1.00 0.00 O ATOM 0 H GLU B 213 43.541 39.827 25.280 1.00 0.00 H new ATOM 0 HA GLU B 213 46.043 39.459 24.331 1.00 0.00 H new ATOM 0 HB2 GLU B 213 43.490 40.663 23.191 1.00 0.00 H new ATOM 0 HB3 GLU B 213 44.932 40.585 22.199 1.00 0.00 H new ATOM 0 HG2 GLU B 213 44.029 38.055 23.549 1.00 0.00 H new ATOM 0 HG3 GLU B 213 43.087 38.640 22.192 1.00 0.00 H new ATOM 1673 N ARG B 214 45.307 42.644 24.629 1.00 0.00 N ATOM 1674 CA ARG B 214 45.838 43.971 24.644 1.00 0.00 C ATOM 1675 C ARG B 214 46.820 44.218 25.738 1.00 0.00 C ATOM 1676 O ARG B 214 47.649 45.122 25.644 1.00 0.00 O ATOM 1677 CB ARG B 214 44.735 45.036 24.768 1.00 0.00 C ATOM 1678 CG ARG B 214 43.667 44.977 23.674 1.00 0.00 C ATOM 1679 CD ARG B 214 42.756 46.204 23.731 1.00 0.00 C ATOM 1680 NE ARG B 214 41.659 46.033 22.738 1.00 0.00 N ATOM 1681 CZ ARG B 214 40.851 47.060 22.345 1.00 0.00 C ATOM 1682 NH1 ARG B 214 40.959 48.306 22.894 1.00 0.00 N ATOM 1683 NH2 ARG B 214 39.895 46.858 21.392 1.00 0.00 N ATOM 0 H ARG B 214 44.342 42.595 24.955 1.00 0.00 H new ATOM 0 HA ARG B 214 46.350 44.055 23.686 1.00 0.00 H new ATOM 0 HB2 ARG B 214 44.250 44.926 25.738 1.00 0.00 H new ATOM 0 HB3 ARG B 214 45.198 46.023 24.753 1.00 0.00 H new ATOM 0 HG2 ARG B 214 44.146 44.920 22.696 1.00 0.00 H new ATOM 0 HG3 ARG B 214 43.071 44.072 23.791 1.00 0.00 H new ATOM 0 HD2 ARG B 214 42.343 46.322 24.733 1.00 0.00 H new ATOM 0 HD3 ARG B 214 43.325 47.107 23.513 1.00 0.00 H new ATOM 0 HE ARG B 214 41.505 45.109 22.335 1.00 0.00 H new ATOM 0 HH11 ARG B 214 41.656 48.486 23.616 1.00 0.00 H new ATOM 0 HH12 ARG B 214 40.342 49.056 22.582 1.00 0.00 H new ATOM 0 HH21 ARG B 214 39.782 45.936 20.970 1.00 0.00 H new ATOM 0 HH22 ARG B 214 39.293 47.629 21.102 1.00 0.00 H new ATOM 1697 N ARG B 215 46.805 43.442 26.836 1.00 0.00 N ATOM 1698 CA ARG B 215 47.751 43.586 27.899 1.00 0.00 C ATOM 1699 C ARG B 215 49.140 43.278 27.458 1.00 0.00 C ATOM 1700 O ARG B 215 50.071 44.040 27.719 1.00 0.00 O ATOM 1701 CB ARG B 215 47.481 42.683 29.115 1.00 0.00 C ATOM 1702 CG ARG B 215 46.355 43.137 30.046 1.00 0.00 C ATOM 1703 CD ARG B 215 46.491 42.410 31.385 1.00 0.00 C ATOM 1704 NE ARG B 215 45.380 42.823 32.288 1.00 0.00 N ATOM 1705 CZ ARG B 215 45.232 42.274 33.529 1.00 0.00 C ATOM 1706 NH1 ARG B 215 46.055 41.288 33.989 1.00 0.00 N ATOM 1707 NH2 ARG B 215 44.222 42.710 34.337 1.00 0.00 N ATOM 0 H ARG B 215 46.122 42.700 26.989 1.00 0.00 H new ATOM 0 HA ARG B 215 47.639 44.631 28.190 1.00 0.00 H new ATOM 0 HB2 ARG B 215 47.247 41.681 28.755 1.00 0.00 H new ATOM 0 HB3 ARG B 215 48.399 42.606 29.697 1.00 0.00 H new ATOM 0 HG2 ARG B 215 46.403 44.215 30.197 1.00 0.00 H new ATOM 0 HG3 ARG B 215 45.385 42.921 29.597 1.00 0.00 H new ATOM 0 HD2 ARG B 215 46.466 41.331 31.230 1.00 0.00 H new ATOM 0 HD3 ARG B 215 47.452 42.644 31.842 1.00 0.00 H new ATOM 0 HE ARG B 215 44.716 43.530 31.972 1.00 0.00 H new ATOM 0 HH11 ARG B 215 46.810 40.938 33.400 1.00 0.00 H new ATOM 0 HH12 ARG B 215 45.915 40.901 34.922 1.00 0.00 H new ATOM 0 HH21 ARG B 215 43.587 43.439 34.012 1.00 0.00 H new ATOM 0 HH22 ARG B 215 44.102 42.307 35.266 1.00 0.00 H new